0 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.45 CN(CCC(=N)N)C1=CC=CC=C1 M16891 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 A14489 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=N1 O8168 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.351 CC(O)C(C)NCC1=CC=CC=C1 B16802 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.351 N[C@@H](\C=C\C1=CC=CC=C1)C(=O)O A12821 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.718 C=CC(O)CNCC1=CC=CC=C1 B16764 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.718 CC[C@H](O)CNCC1=CC=CC=C1 B16829 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.718 NCC(O)COCC1=CC=CC=C1 A14985 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,1,0,0|2,1,0]=4 33 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P8825 [0,0,0,1,0,0|2,1,0]=4 34 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,1,0,0|2,1,0]=4 35 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P8826 [0,0,0,1,0,0|2,1,0]=4 36 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B11514 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 I1298 [0,0,0,1,0,0|1,0,2]=4 38 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 B8129 [0,0,0,1,0,0|1,0,2]=4 39 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 I7269 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,0,1,0,0|1,0,0]=2 41 B13R2.163 O=C1CCSC2=CC=CC=C2N1 D17032 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [0,0,0,1,0,0|2,0,1]=4 45 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [0,0,0,0,1,0|2,0,1]=4 46 B11R1.91 N=C(N)CCC1=CN=CC=C1 P15961 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.91 N=C(N)COC1=CC=CC=C1 P16903 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 P10067 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,0,0,0,1,0|0,0,0]=1 50 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [0,0,0,0,1,0|1,0,0]=2 51 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,0,0,0,1,0|1,0,0]=2 53 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,0,0,0,1,0|1,0,0]=2 54 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [0,0,0,0,1,0|2,0,0]=3 55 B11R1.91 O=C(O)CSC1=NC=CC=N1 P7830 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [0,0,0,0,1,0|1,0,2]=4 57 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [0,0,0,0,1,0|1,0,2]=4 58 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [0,0,0,0,1,0|0,0,3]=4 59 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 P16901 [0,0,0,0,0,1|2,0,0]=3 60 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 B15807 [0,0,0,0,0,1|2,0,0]=3 61 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,1|1,0,0]=2 62 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,1|1,0,0]=2 63 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCCC1=CC=CN=C1 B11443 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.17 CCCCC1=NC=CC=C1 B11448 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 NCCOC1=CC=CC=C1 P3356 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 OCCOC1=CC=CC=C1 P2904 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B10180 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.1 N(CCO)CC1=CC=C(F)C=C1 F7810 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [1,1,0,0,0,0|0,0,1]=3 79 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [0,1,0,0,1,0|0,0,2]=4 85 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [0,1,0,0,1,0|0,0,2]=4 87 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [0,1,0,0,1,0|0,0,0]=2 88 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [0,1,0,0,1,0|0,0,0]=2 89 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [0,1,0,0,1,0|0,0,0]=2 90 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [0,1,0,0,1,0|0,0,0]=2 91 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [0,1,0,0,1,0|0,0,2]=4 96 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [0,1,0,0,1,0|0,0,2]=4 97 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,1,0,0,1,0|0,0,1]=3 98 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O M14751 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O M14643 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,1,0,0,1,0|0,0,0]=2 102 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,1,0,0,1,0|0,0,0]=2 106 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [0,1,0,0,1,0|1,0,0]=3 107 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,1,0,0,1,0|0,0,0]=2 110 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,1,0,0,1,0|0,0,0]=2 111 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,1,0,0,1,0|0,0,2]=4 112 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 A1934 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 A14509 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.107 NC(CC(=O)O)C1=CN=CN=C1 A14522 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 A14654 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,1,0,0,1,0|0,0,0]=2 117 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 A1932 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 A1933 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,1,0,0,1,0|0,0,0]=2 120 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [0,1,0,0,1,0|0,0,2]=4 121 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [0,1,0,0,1,0|0,0,0]=2 122 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [0,1,0,0,1,0|0,0,0]=2 123 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [0,1,0,0,1,0|0,0,2]=4 124 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [0,1,0,0,1,0|0,0,2]=4 125 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [0,1,0,0,1,0|0,0,2]=4 126 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [0,1,0,0,1,0|0,0,0]=2 127 B12R1.226 NC1=NC(CCC(=O)O)=CC=C1 A14728 [0,1,0,0,1,0|1,0,0]=3 128 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [0,1,0,0,1,0|0,0,0]=2 129 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [0,1,0,0,1,0|0,0,0]=2 130 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [0,1,0,0,1,0|0,0,0]=2 131 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [0,1,0,0,1,0|0,0,2]=4 134 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [0,1,0,0,1,0|0,0,2]=4 135 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [0,1,0,0,1,0|0,0,2]=4 136 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [0,1,0,0,1,0|0,0,2]=4 137 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 B8679 [0,1,0,0,0,1|0,0,0]=2 138 B14R1.423 CN(CCC(=N)N)CC1=CC=CC=C1 B15901 [0,1,0,0,0,1|2,0,0]=4 139 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 P11548 [0,1,0,0,0,1|1,0,1]=4 140 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 P9636 [0,1,0,0,0,1|1,0,0]=3 141 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O B9504 [0,1,0,0,0,1|0,0,0]=2 142 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O A8780 [0,1,0,0,0,1|0,0,0]=2 143 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B18300 [0,1,0,0,0,1|0,0,0]=2 144 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O C9505 [0,1,0,0,0,1|0,0,0]=2 145 B14R1.415 CC(C[C@H](N)C(=O)O)C1=CC=CC=C1 A12804 [0,2,0,0,0,0|0,0,0]=2 146 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 M8681 [0,2,0,0,0,0|0,0,1]=3 147 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 A1113 [0,2,0,0,0,0|1,0,1]=4 148 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 F8840 [0,2,0,0,0,0|0,0,1]=3 149 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O A9510 [0,2,0,0,0,0|1,0,0]=3 150 B14R1.425 C[C@H](SC1=CC=CC=C1)[C@H](N)C(=O)O A9509 [0,2,0,0,0,0|1,0,0]=3 151 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,2,0,0,0,0|0,0,0]=2 152 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,2,0,0,0,0|0,0,0]=2 153 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,2,0,0,0,0|0,0,1]=3 154 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O T0363 [0,2,0,0,0,0|0,0,0]=2 155 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 B13956 [0,2,0,0,0,0|1,0,0]=3 156 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [0,2,0,0,0,0|0,0,0]=2 157 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [0,2,0,0,0,0|1,0,0]=3 158 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [0,2,0,0,0,0|1,0,0]=3 159 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [1,0,0,1,0,0|1,0,1]=4 160 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [1,0,0,1,0,0|2,0,0]=4 161 B12R2.41 C1=CC=C2NCCCCC2=C1 T15203 [1,0,0,1,0,0|1,0,1]=4 162 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [1,0,0,1,0,0|1,0,0]=3 163 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [1,0,0,1,0,0|1,0,0]=3 164 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [1,0,0,1,0,0|1,0,0]=3 165 B12R2.1081 OC1CCCC2=NC=CC=C21 H13328 [1,0,0,1,0,0|1,0,1]=4 166 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 E4816 [1,0,0,1,0,0|1,0,1]=4 167 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 E4817 [1,0,0,1,0,0|1,0,1]=4 168 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [0,0,0,1,1,0|2,0,0]=4 169 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,1,0|1,0,0]=3 170 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,1,0|1,0,0]=3 171 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 B7679 [0,0,0,1,1,0|2,0,0]=4 172 B12R2.2403 NC1(O)CCC2=C1C=CC=C2 A15409 [0,0,0,1,1,0|1,0,1]=4 173 B14R2.2 O=C(Cl)CN1CCC2=CC=CC=C21 D13525 [0,0,0,1,0,1|1,0,0]=3 174 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 I5045 [0,0,0,1,0,1|0,0,2]=4 175 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 B5328 [0,0,0,1,0,1|1,0,1]=4 176 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 B16485 [0,0,0,1,0,1|1,0,1]=4 177 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 D13524 [0,0,0,1,0,1|0,0,0]=2 178 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 B8091 [0,0,0,1,0,1|2,0,0]=4 179 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|1,0,0]=3 180 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,1|1,0,0]=3 181 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|1,0,0]=3 182 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,1|1,0,0]=3 183 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 H6040 [0,0,0,1,0,1|1,0,1]=4 184 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 B3034 [0,0,0,1,0,1|1,0,1]=4 185 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,1,0,1|1,1,0]=4 186 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,1,0,1|1,1,0]=4 187 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,1,0,1|1,1,0]=4 188 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,1,0,1|1,1,0]=4 189 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 T8067 [0,0,0,1,0,1|0,0,0]=2 190 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 T8067 [0,0,0,1,0,1|0,0,0]=2 191 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T8068 [0,0,0,1,0,1|0,0,0]=2 192 B14R2.31359 O=C(O)[C@@H]1NCCC2=CC=CC=C21 T12750 [0,0,0,1,0,1|0,0,0]=2 193 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 T11008 [0,0,0,1,0,1|0,0,0]=2 194 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 T8097 [0,1,0,1,0,0|1,0,0]=3 195 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 T8096 [0,1,0,1,0,0|1,0,0]=3 196 B14R2.25733 N[C@H]1C[C@@H](C(=O)O)C2=CC=CC=C21 A12901 [0,1,0,1,0,0|0,0,0]=2 197 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 O14081 [0,1,0,1,0,0|0,0,1]=3 198 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 A8070 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.781 NC(=O)C1CC2=C(C=CC=C2)CN1 T11758 [0,1,0,1,0,0|2,0,0]=4 200 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 T9613 [0,1,0,1,0,0|1,0,0]=3 201 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 B3390 [0,1,0,1,0,0|1,0,0]=3 202 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 T3753 [0,1,0,1,0,0|1,0,0]=3 203 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 T8095 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 T7288 [0,1,0,1,0,0|1,0,0]=3 205 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,1,0,1,0,0|2,0,0]=4 206 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,1,0,1,0,0|2,0,0]=4 207 B14R2.741 NC1CCC2=CC=CC=C2NC1=O A7313 [0,1,0,1,0,0|1,0,0]=3 208 B14R2.741 NC1CSC2=CC=CC=C2NC1=O A13066 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br B4091 [0,1,0,1,0,0|1,0,0]=3 210 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br B4091 [0,1,0,1,0,0|1,0,0]=3 211 B14R2.9535 NC1(C(=O)O)CCC2=CC=CC=C21 A13054 [0,1,0,1,0,0|0,0,0]=2 212 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 F8202 [0,1,0,1,0,0|0,0,0]=2 213 B14R2.380 CC1=CC=C2CCCC(=O)NC2=C1 M13289 [0,1,0,1,0,0|1,0,0]=3 214 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 A13291 [0,1,0,1,0,0|1,0,0]=3 215 B14R2.380 O=C1CCCC2=CC=C(Br)C=C2N1 B13290 [0,1,0,1,0,0|1,0,0]=3 216 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 A18013 [0,1,0,1,0,0|2,0,0]=4 217 B14R2.3459 NCC1(O)CCCC2=C1C=CC=C2 A15474 [0,1,0,1,0,0|1,0,1]=4 218 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [0,0,0,0,2,0|2,0,0]=4 219 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [0,0,0,0,2,0|2,0,0]=4 220 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [0,0,0,0,2,0|1,0,0]=3 221 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [0,0,0,0,2,0|1,0,0]=3 222 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [0,0,0,0,2,0|1,0,0]=3 223 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [0,0,0,0,2,0|2,0,0]=4 224 B10R1.66 O=C(O)CCC1=NC=CN1 I14885 [0,0,0,0,2,0|2,0,0]=4 225 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 B15739 [0,0,0,0,0,2|2,0,0]=4 226 B14R1.422 O=C(O)\C=C\COCC1=CC=CC=C1 B14704 [0,0,0,0,0,2|0,0,1]=3