0 B13R1.42 C1=CC=C(C=C1)CNC(=O)CC#N N353031 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.42 C1=CC=C(C=C1)CNC(=O)CCCl B136633 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 C1=CC=C(C=C1)COC(=O)CC#N B468749 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.42 C1=CC=C(C=C1)COC(=O)CCN B133773 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.42 C1=CC=C(C=C1)COC(=O)CCO B181520 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 B151844 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.42 CCCC(C#CC1=CC=CC=C1)O P468870 [0,0,0,0,0,0|1,0,3]=4 7 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E156544 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103904 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103906 [0,0,0,0,0,0|2,0,1]=3 10 B13R1.42 CCOC(=O)C=CC1=CN=CC=C1 E185464 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E107514 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 N159323 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.42 CCOC(=O)COC1=CC=CC=C1 E156512 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 E101825 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.8 C1=CC=C(C=C1)CNCCCN N158976 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.8 C1=CC=C(C=C1)CNCCCO B151809 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.8 C1=CC=C(C=C1)COCCCBr B111397 [1,0,0,0,0,0|1,0,1]=3 20 B12R1.8 C1=CC=C(C=C1)COCCCBr B165144 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.8 C1=CC=C(C=C1)COCCCO B151933 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.8 CCCCC#CC1=CC=CC=C1 P160657 [1,0,0,0,0,0|1,0,2]=4 23 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [1,0,0,0,0,0|1,0,1]=3 24 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.8 CCCCCC[N+]1=CC=CC=C1 H157301 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.8 CCCCCC[N+]1=CC=CC=C1 N304538 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [1,0,0,0,0,0|1,0,1]=3 28 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [1,0,0,0,0,0|1,0,0]=2 34 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [1,0,0,0,0,0|2,0,0]=3 36 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [1,0,0,0,0,0|0,0,2]=3 37 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [1,0,0,0,0,0|0,0,2]=3 38 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [1,0,0,0,0,0|0,0,0]=1 39 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [1,0,0,0,0,0|2,0,1]=4 40 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [1,0,0,0,0,0|2,0,0]=3 45 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [1,0,0,0,0,0|3,0,0]=4 47 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 E107010 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N P109013 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N R589727 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 N405386 [0,1,0,0,0,0|0,0,2]=3 51 B14R1.156 C1=CC=C(C=C1)COC(=O)NCC#N N158951 [0,1,0,0,0,0|1,0,1]=3 52 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCBr B193817 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN B194755 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN Z104543 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO C153248 [0,1,0,0,0,0|1,0,0]=2 56 B14R1.156 CCCOC(=O)C=CC1=CC=CC=C1 P101493 [0,1,0,0,0,0|1,0,1]=3 57 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)Br E192267 [0,1,0,0,0,0|2,0,1]=4 58 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)F E156283 [0,1,0,0,0,0|2,0,1]=4 59 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O E304519 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Br E138811 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Cl E589967 [0,1,0,0,0,0|2,0,0]=3 62 B14R1.756 C1=CC=C(C=C1)COC(=O)C(CO)N H587368 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.756 C1=CC=C(C=C1)COC(=O)C(CO)N S136204 [0,1,0,0,0,0|1,0,0]=2 64 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 B137209 [0,1,0,0,0,0|0,0,2]=3 65 B14R1.818 C1=CC=C(C=C1)COC(=O)CC(=O)O M341197 [0,1,0,0,0,0|1,0,1]=3 66 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B117238 [0,1,0,0,0,0|1,0,1]=3 67 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B151842 [0,1,0,0,0,0|0,0,1]=2 68 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B471282 [0,1,0,0,0,0|0,0,1]=2 69 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 B405431 [0,1,0,0,0,0|0,0,0]=1 70 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 I101492 [0,1,0,0,0,0|2,0,1]=4 71 B14R2.21 C1CC(CC(=O)C1)C2=CC=CC=C2 P337741 [0,0,0,1,0,0|1,0,0]=2 72 B14R2.30 C1CC(=O)N(C1)CC2=CC=CC=C2 B121114 [0,0,0,1,0,0|1,0,0]=2 73 B14R2.30 C1CC(C(=O)C1)CC2=CC=CC=C2 B135426 [0,0,0,1,0,0|1,0,0]=2 74 B14R2.598 CC1C(OC(=O)N1)C2=CC=CC=C2 I167709 [0,0,0,1,0,0|1,0,0]=2 75 B14R2.2899 C1CN1C(=O)OCC2=CC=CC=C2 B588444 [0,0,0,1,0,0|1,0,0]=2 76 B12R1.32 C1=CC=C(C=C1)NC(=O)CC#N C153723 [0,0,0,0,1,0|2,0,1]=4 77 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103494 [0,0,0,0,1,0|1,0,0]=2 78 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103495 [0,0,0,0,1,0|1,0,0]=2 79 B12R1.32 CCOC(=O)CC1=CC=CC=N1 E138597 [0,0,0,0,1,0|2,0,0]=3 80 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E100811 [0,0,0,0,1,0|2,0,0]=3 81 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E113740 [0,0,0,0,1,0|2,0,0]=3 82 B12R1.32 CN(CCO)CC1=CC=CC=C1 M134243 [0,0,0,0,1,0|3,0,0]=4 83 B14R1.520 C1=CC=C(C=C1)COCC(CCO)O B151932 [0,0,0,0,0,1|1,0,2]=4 84 B14R1.520 C1=CC=C(C=C1)COCC(CCO)O R160961 [0,0,0,0,0,1|1,0,2]=4 85 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P302118 [0,0,0,0,0,1|0,0,0]=1 86 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 B131930 [0,0,0,0,0,1|2,0,0]=3 87 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 E156131 [0,0,0,0,0,1|3,0,0]=4 88 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 N103554 [0,0,0,0,0,1|2,0,0]=3 89 B14R1.520 CCOC(C)OCCC1=CC=CC=C1 E414385 [0,0,0,0,0,1|2,0,1]=4 90 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [2,0,0,0,0,0|0,0,2]=4 91 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [2,0,0,0,0,0|1,0,1]=4 94 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [2,0,0,0,0,0|1,0,1]=4 96 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [2,0,0,0,0,0|1,0,1]=4 97 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [2,0,0,0,0,0|1,0,1]=4 98 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [2,0,0,0,0,0|1,0,1]=4 101 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [2,0,0,0,0,0|1,0,0]=3 102 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [2,0,0,0,0,0|1,0,0]=3 104 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [2,0,0,0,0,0|1,0,0]=3 105 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [2,0,0,0,0,0|1,1,0]=4 106 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [2,0,0,0,0,0|1,0,1]=4 107 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [2,0,0,0,0,0|1,0,1]=4 108 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [2,0,0,0,0,0|0,0,2]=4 110 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [2,0,0,0,0,0|0,0,2]=4 111 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [2,0,0,0,0,0|0,0,1]=3 112 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [2,0,0,0,0,0|1,0,1]=4 113 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [2,0,0,0,0,0|1,0,1]=4 116 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [2,0,0,0,0,0|0,0,1]=3 117 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [2,0,0,0,0,0|1,0,0]=3 118 B11R1.28 CCOC=NC1=CC=CC=C1 E156427 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [2,0,0,0,0,0|1,0,1]=4 120 B11R1.28 OCCSCc1ccccc1 H109405 [2,0,0,0,0,0|1,1,0]=4 121 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [2,0,0,0,0,0|2,0,0]=4 122 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [2,0,0,0,0,0|2,0,0]=4 124 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [2,0,0,0,0,0|2,0,0]=4 125 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [2,0,0,0,0,0|2,0,0]=4 127 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [2,0,0,0,0,0|1,0,0]=3 128 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [2,0,0,0,0,0|1,0,0]=3 129 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [2,0,0,0,0,0|1,0,1]=4 132 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [2,0,0,0,0,0|1,0,1]=4 133 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [2,0,0,0,0,0|1,0,0]=3 134 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [2,0,0,0,0,0|1,0,0]=3 136 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [2,0,0,0,0,0|0,0,0]=2 138 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [2,0,0,0,0,0|0,0,0]=2 139 B13R1.9 CCCCCCC1=CC=C(C=C1)Br B115518 [1,1,0,0,0,0|1,0,1]=4 140 B13R1.9 CCCCCCC1=CC=C(C=C1)N H157102 [1,1,0,0,0,0|1,0,1]=4 141 B13R1.9 CCCCCCC1=CC=C(C=C1)O H133197 [1,1,0,0,0,0|1,0,1]=4 142 B13R1.24 CCCCCC(C1=CC=CC=C1)O P160139 [1,1,0,0,0,0|1,0,1]=4 143 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110620 [1,1,0,0,0,0|0,0,2]=4 144 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110621 [1,1,0,0,0,0|0,0,2]=4 145 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110622 [1,1,0,0,0,0|0,0,2]=4 146 B13R1.28 C1=CC=C(C=C1)CNCCCCO B152480 [1,1,0,0,0,0|1,0,1]=4 147 B13R1.28 C1=CC=C(C=C1)COCCCCBr B124385 [1,1,0,0,0,0|0,0,1]=3 148 B13R1.28 C1=CC=C(C=C1)COCCCCO B471125 [1,1,0,0,0,0|0,0,1]=3 149 B13R1.28 CCCCCCCC1=CC=CC=C1 H157141 [1,1,0,0,0,0|1,0,1]=4 150 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 B464409 [1,1,0,0,0,0|0,0,2]=4 151 B13R1.718 C1=CC=C(C=C1)COCC(CBr)O B151934 [1,1,0,0,0,0|1,0,1]=4 152 B13R1.718 C1=CC=C(C=C1)COCC(CO)O R139002 [1,1,0,0,0,0|1,0,1]=4 153 B13R1.718 C1=CC=C(C=C1)COCC(CO)O S138373 [1,1,0,0,0,0|1,0,1]=4 154 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 S117685 [1,1,0,0,0,0|0,0,0]=2 155 B13R1.11 COC(=O)CC(C1=CC=CC=C1)N M343428 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br M139243 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O M115480 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.15 COC(=O)CCC1=CC(=CC=C1)Br M167459 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CBr B355324 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P100531 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P109006 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M138182 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M158823 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.351 CC(=C)C(=O)OCC1=CC=CC=C1 B102356 [1,1,0,0,0,0|0,0,1]=3 165 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N A109014 [1,1,0,0,0,0|0,0,0]=2 166 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N A117193 [1,1,0,0,0,0|0,0,0]=2 167 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N D351821 [1,1,0,0,0,0|0,0,0]=2 168 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N L133915 [1,1,0,0,0,0|0,0,0]=2 169 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O B151945 [1,1,0,0,0,0|0,0,0]=2 170 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 B151839 [1,1,0,0,0,0|0,0,0]=2 171 B13R1.528 COC(=O)CCC1=CC=CC=C1Br M139153 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.528 COC(=O)CCC1=CC=CC=C1F M587241 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.19 CC=CC(=O)OC1=CC=C(C=C1)C P160129 [0,1,0,0,1,0|0,0,2]=4 174 B13R1.19 CCCC(=O)NC1=NC=C(C=C1)Br N587329 [0,1,0,0,1,0|2,0,0]=4 175 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br E156520 [0,1,0,0,1,0|1,0,0]=3 176 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)C E113735 [0,1,0,0,1,0|1,0,0]=3 177 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl E167194 [0,1,0,0,1,0|1,0,0]=3 178 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F E185396 [0,1,0,0,1,0|1,0,0]=3 179 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O E115484 [0,1,0,0,1,0|1,0,0]=3 180 B13R1.19 CCOC(=O)CC1=CN=C(C=C1)Cl C492411 [0,1,0,0,1,0|2,0,0]=4 181 B13R1.19 CCOC(=O)CC1=NC=C(C=C1)Br E171863 [0,1,0,0,1,0|2,0,0]=4 182 B13R1.19 CCOC(=O)CC1=NC=C(C=C1)F E586112 [0,1,0,0,1,0|2,0,0]=4 183 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Br E181428 [0,1,0,0,1,0|1,0,0]=3 184 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)Cl E189013 [0,1,0,0,1,0|1,0,0]=3 185 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)O E156516 [0,1,0,0,1,0|1,0,0]=3 186 B13R1.20 CCOC(=O)CC1=NC(=CC=C1)Cl E587673 [0,1,0,0,1,0|2,0,0]=4 187 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)O E404409 [0,1,0,0,1,0|2,0,0]=4 188 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 E135702 [0,1,0,0,1,0|1,0,1]=4 189 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 E183145 [0,1,0,0,1,0|1,0,0]=3 190 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br E169288 [0,1,0,0,1,0|1,0,0]=3 191 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Cl E170515 [0,1,0,0,1,0|1,0,0]=3 192 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N H589598 [0,1,0,0,1,0|1,0,0]=3 193 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N P100532 [0,1,0,0,1,0|1,0,0]=3 194 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N P117180 [0,1,0,0,1,0|1,0,0]=3 195 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O E156466 [0,1,0,0,1,0|1,0,0]=3 196 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O E156470 [0,1,0,0,1,0|1,0,0]=3 197 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O E156515 [0,1,0,0,1,0|1,0,0]=3 198 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M193800 [0,1,0,0,1,0|0,0,0]=2 199 B13R1.348 CC(C)CC(CC1=CC=CC=C1)O M158741 [0,1,0,0,1,0|0,0,2]=4 200 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 I300292 [0,1,0,0,1,0|1,0,0]=3 201 B13R1.470 CCOC(=O)CC1=C(C=CC=N1)Br E175457 [0,1,0,0,1,0|2,0,0]=4 202 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br E588165 [0,1,0,0,1,0|1,0,0]=3 203 B13R1.470 CCOC(=O)CC1=CC=CC=C1C E156542 [0,1,0,0,1,0|1,0,0]=3 204 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl E193223 [0,1,0,0,1,0|1,0,0]=3 205 B13R1.470 CCOC(=O)CC1=CC=CC=C1F E589564 [0,1,0,0,1,0|1,0,0]=3 206 B13R1.470 CCOC(=O)CC1=CC=CC=C1O E347567 [0,1,0,0,1,0|1,0,0]=3 207 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E194746 [0,1,0,0,0,1|2,0,0]=4 208 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 E102468 [0,1,0,0,0,1|2,0,0]=4 209 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N H117187 [0,1,0,0,0,1|2,0,0]=4 210 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N H117188 [0,1,0,0,0,1|2,0,0]=4 211 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O E119769 [0,1,0,0,0,1|2,0,0]=4 212 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O S586809 [0,1,0,0,0,1|2,0,0]=4 213 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 P160776 [0,1,0,0,0,1|0,0,0]=2 214 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N D137119 [0,2,0,0,0,0|2,0,0]=4 215 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N D331121 [0,2,0,0,0,0|2,0,0]=4 216 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N S161205 [0,2,0,0,0,0|2,0,0]=4 217 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N T105479 [0,2,0,0,0,0|2,0,0]=4 218 B15R1.3960 CCOC(=O)C(=C)CC1=CC=CC=C1Cl I287944 [0,2,0,0,0,0|2,0,0]=4 219 B15R1.78 C1=CC=C(C=C1)COC(=O)NCCC=O W136463 [0,2,0,0,0,0|0,0,1]=3 220 B15R1.78 C1=CC=C(C=C1)COC(=O)NCCCN P113698 [0,2,0,0,0,0|0,0,0]=2 221 B15R1.78 C1=CC=C(C=C1)COC(=O)NCCCO C153247 [0,2,0,0,0,0|0,0,0]=2 222 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 B123476 [0,2,0,0,0,0|1,0,0]=3 223 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 I136714 [0,2,0,0,0,0|1,0,0]=3 224 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 B138944 [0,2,0,0,0,0|0,0,1]=3 225 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)N Z113949 [0,2,0,0,0,0|1,0,1]=4 226 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)O Z110912 [0,2,0,0,0,0|1,0,1]=4 227 B15R1.5919 CC(C)COC(=O)C=CC1=CC=CC=C1 I101456 [0,2,0,0,0,0|1,0,1]=4 228 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O H191915 [0,2,0,0,0,0|0,0,0]=2 229 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O S161110 [0,2,0,0,0,0|0,0,0]=2 230 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O S161113 [0,2,0,0,0,0|0,0,0]=2 231 B15R1.3678 CC(C)C(C(=O)OCC1=CC=CC=C1)N S135773 [0,2,0,0,0,0|0,0,0]=2 232 B15R1.3678 CC(C)C(C(=O)OCC1=CC=CC=C1)N S161114 [0,2,0,0,0,0|0,0,0]=2 233 B15R1.3678 CC(C)C(C(=O)OCC1=CC=CC=C1)N V105481 [0,2,0,0,0,0|0,0,0]=2 234 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 N589083 [0,2,0,0,0,0|2,0,0]=4 235 B13R2.3 C1CC(CC=C1)C2=CC=CC=C2 P160395 [1,0,0,1,0,0|1,0,1]=4 236 B13R2.3 C1CC(CNC1)C2=CC=CC=C2 P138790 [1,0,0,1,0,0|2,0,0]=4 237 B13R2.3 C1CCC(CC1)C2=CC=CC=C2 P111365 [1,0,0,1,0,0|1,0,1]=4 238 B13R2.3 C1CCNC(C1)C2=CC=CC=C2 R467341 [1,0,0,1,0,0|1,0,1]=4 239 B13R2.3 C1COC(CN1)C2=CC=CC=C2 R586682 [1,0,0,1,0,0|1,0,1]=4 240 B13R2.3 C1COCOC1C2=CC=CC=C2 P160795 [1,0,0,1,0,0|1,0,1]=4 241 B13R2.64 C1CCN(C1)CC2=CC=CC=C2 B192606 [1,0,0,1,0,0|1,0,1]=4 242 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119627 [1,0,0,1,0,0|1,0,1]=4 243 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119630 [1,0,0,1,0,0|1,0,1]=4 244 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 P136148 [1,0,0,1,0,0|1,0,1]=4 245 B13R2.2383 C1C(CN1)OCC2=CC=CC=C2 B195675 [1,0,0,1,0,0|1,0,1]=4 246 B13R2.10 C1C(=O)OC(=N1)C2=CC=CC=C2 P124644 [1,0,0,1,0,0|1,0,1]=4 247 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [1,0,0,1,0,0|2,0,0]=4 248 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [1,0,0,1,0,0|2,0,0]=4 249 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [1,0,0,1,0,0|2,0,0]=4 250 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113217 [1,0,0,1,0,0|2,0,0]=4 251 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113218 [1,0,0,1,0,0|2,0,0]=4 252 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P426941 [1,0,0,1,0,0|2,0,0]=4 253 B13R2.373 C1=CC=C(C=C1)C2C(C(=O)N2)O R302386 [1,0,0,1,0,0|2,0,0]=4 254 B13R2.135 CCN1C2=CC=CC=C2NC1=O E178702 [0,0,0,1,1,0|2,0,0]=4 255 B13R2.135 CC[N+]1=C(OC2=CC=CC=C21)C E334734 [0,0,0,1,1,0|2,0,0]=4 256 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [0,0,0,1,1,0|1,0,0]=3 257 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [0,0,0,1,1,0|0,0,2]=4 258 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 M194507 [0,0,0,1,1,0|2,0,0]=4 259 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B133860 [0,0,0,1,0,1|1,0,0]=3 260 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B193233 [0,0,0,1,0,1|1,0,0]=3 261 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B588814 [0,0,0,1,0,1|1,0,0]=3 262 B15R2.31 C1CN(CC(=O)N1)CC2=CC=CC=C2 W134286 [0,0,0,1,0,1|2,0,0]=4 263 B15R2.55 C1CC(C(C1)OCC2=CC=CC=C2)N I168055 [0,0,0,1,0,1|1,0,1]=4 264 B15R2.27 C1C(CC(=O)CC1=O)C2=CC=CC=C2 P170577 [0,1,0,1,0,0|1,0,1]=4 265 B15R2.38 C1CCC(=O)C(=CC2=CC=CC=C2)C1 B152242 [0,1,0,1,0,0|1,0,1]=4 266 B15R2.1356 CCOC(=O)C1CC2=CC=CC=C2N1 E156328 [0,1,0,1,0,0|2,0,0]=4 267 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C I134321 [0,1,0,1,0,0|2,0,0]=4 268 B15R3.794 C1CC(=O)N2CCC3=CC=CC1=C32 P114454 [0,0,0,2,0,0|2,0,0]=4 269 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 A472239 [0,0,0,2,0,0|2,0,0]=4 270 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [1,0,0,0,1,0|1,1,0]=4 271 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [1,0,0,0,1,0|1,1,0]=4 272 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [1,0,0,0,1,0|2,0,0]=4 273 B11R1.40 C1=CC=C(C=C1)NC(=O)CCl C469406 [1,0,0,0,1,0|2,0,0]=4 274 B11R1.40 C1=CC=C(C=C1)OC(=O)CBr P102337 [1,0,0,0,1,0|1,0,0]=3 275 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P122863 [1,0,0,0,1,0|0,0,2]=4 276 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [1,0,0,0,1,0|0,0,0]=2 277 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [1,0,0,0,1,0|1,0,0]=3 278 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [1,0,0,0,1,0|0,0,0]=2 279 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [1,0,0,0,1,0|1,0,1]=4 280 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [1,0,0,0,1,0|0,0,2]=4 281 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [1,0,0,0,1,0|1,0,0]=3 282 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [1,0,0,0,1,0|1,0,0]=3 283 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [1,0,0,0,1,0|2,0,0]=4 284 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [1,0,0,0,1,0|2,0,0]=4 285 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [1,0,0,0,1,0|2,0,0]=4 286 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [1,0,0,0,1,0|1,0,0]=3 287 B11R1.16 C1=CC=C(C=C1)C(=O)CC#N B151981 [0,0,0,0,2,0|1,0,1]=4 288 B11R1.16 C1=CC=C(C=C1)C(=O)CCCl C154064 [0,0,0,0,2,0|1,0,0]=3 289 B11R1.16 C1=CC=C(C=C1)C(=O)OCCl C331582 [0,0,0,0,2,0|2,0,0]=4 290 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [0,0,0,0,2,0|0,0,2]=4 291 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [0,0,0,0,2,0|0,0,0]=2 292 B11R1.16 CCCC(=O)C1=CC=CC=N1 B588269 [0,0,0,0,2,0|1,0,0]=3 293 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [0,0,0,0,2,0|0,0,2]=4 294 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [0,0,0,0,2,0|0,0,2]=4 295 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [0,0,0,0,2,0|0,0,2]=4 296 B11R1.16 CCNC(=O)C1=CN=CC=C1 N159628 [0,0,0,0,2,0|2,0,0]=4 297 B11R1.16 CCOC(=N)C1=CC=CC=C1 E170842 [0,0,0,0,2,0|2,0,0]=4 298 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103424 [0,0,0,0,2,0|1,0,0]=3 299 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103425 [0,0,0,0,2,0|1,0,0]=3 300 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103426 [0,0,0,0,2,0|1,0,0]=3 301 B11R1.16 CCOC(=O)C1=CC=CC=N1 E133202 [0,0,0,0,2,0|2,0,0]=4 302 B11R1.16 CCOC(=O)C1=CC=NC=C1 E123188 [0,0,0,0,2,0|2,0,0]=4 303 B11R1.16 CCOC(=O)C1=CN=CC=C1 E104496 [0,0,0,0,2,0|2,0,0]=4 304 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 E133085 [0,0,0,0,2,0|2,0,0]=4 305 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [0,0,0,0,2,0|2,0,0]=4 306 B11R1.30 CCOC(=O)CC1=CC=CS1 E341558 [0,0,0,0,2,0|2,0,0]=4 307 B11R1.30 CCOC(=O)CC1=CSC=C1 E170003 [0,0,0,0,2,0|2,0,0]=4 308 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 C153316 [0,0,0,0,0,2|0,0,0]=2 309 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 E156249 [0,0,0,0,0,2|2,0,0]=4 310 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 E124449 [0,0,0,0,0,2|2,0,0]=4