0 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS22398 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 MC111024 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.8 CCCCCCC1=CC=NC=C1 CS17088 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS11737 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 MC103280 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 MC418495 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.756 COC(=O)C(N)CCc1ccccc1 MC439295 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,0|2,0,0]=3 19 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,0,0,1,0,0|2,1,0]=4 22 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MC104292 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.68 O=C1CCC(C2=NC=CN=C2)CC1 MC106170 [0,0,0,1,0,0|3,0,0]=4 24 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 MC442722 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 CS13579 [0,0,0,1,0,0|3,0,0]=4 26 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 MC428330 [0,0,0,1,0,0|1,0,0]=2 27 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 CS13118 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.95 O=C(CBr)C1NCC2=CC=CC=C21 MC106281 [0,0,0,1,0,0|3,0,0]=4 29 B14R2.95 O=C(CCl)C1NCC2=CC=CC=C21 MC106280 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,1,0|2,0,1]=4 31 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,1,0|1,0,0]=2 32 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,1,0|1,0,0]=2 35 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,1,0|2,0,0]=3 37 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,0,0,0,1,0|1,0,0]=2 38 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [2,0,0,0,0,0|1,0,1]=4 44 B13R1.9 CCCCCCC1=CC=C(N)C=C1 CS22853 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.28 OCCOCCOC1=CC=CC=C1 MC428188 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS11157 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11117 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11118 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS11150 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 CS11085 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS15672 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42230 [0,1,0,0,1,0|1,0,0]=3 57 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 MC42231 [0,1,0,0,1,0|1,0,0]=3 58 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 MC433967 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 MC112426 [0,1,0,0,1,0|1,0,0]=3 62 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS11158 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 MC428077 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.135 COC(=O)C(N)Cc1ccccc1 MC438088 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.135 COC(=O)C(N)Cc1cccnc1 MC438145 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS11127 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS14552 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS21578 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.135 NC(Cc1ccccc1)C(=O)CCl MC438073 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.135 NNC(=O)C(N)Cc1ccccc1 MC439014 [0,1,0,0,1,0|2,0,0]=4 71 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 MC433966 [0,1,0,0,1,0|1,0,0]=3 72 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 MC20148 [0,1,0,0,0,1|2,0,0]=4 73 B15R1.1321 COC(=O)C(Br)COCC1=CC=CC=C1 MC112408 [0,1,0,0,0,1|2,0,0]=4 74 B15R1.1321 COC(=O)C(N)COCc1ccccc1 MC438171 [0,1,0,0,0,1|2,0,0]=4 75 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 CS15747 [0,2,0,0,0,0|1,0,0]=3 76 B15R1.11 CCOC(=O)\C=C\CC1=CC=C(Cl)C=C1 MC112132 [0,2,0,0,0,0|1,0,1]=4 77 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 CS17079 [0,2,0,0,0,0|2,0,0]=4 78 B15R1.633 CCOC(=O)CCCC1=CC(O)=CC=C1 MC106604 [0,2,0,0,0,0|1,0,0]=3 79 B15R1.826 CCOC(=O)C(N)CCC1=CC=CC=C1 CS16255 [0,2,0,0,0,0|1,0,0]=3 80 B15R1.9084 O=C(O)CC(=O)OCCC1=CC=CC=C1 MC110596 [0,2,0,0,0,0|0,0,1]=3 81 B15R1.931 COC(=O)CCCC1=CC(F)=CC(C)=C1 MC40104 [0,2,0,0,0,0|2,0,0]=4 82 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 CS19345 [1,0,0,1,0,0|1,0,1]=4 83 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 MC105744 [1,0,0,1,0,0|1,0,1]=4 84 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 CS19654 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC104251 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.3 C1=CC=C(C2COCCN2)C=C1 MC107844 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [1,0,0,1,0,0|1,0,0]=3 88 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [1,0,0,1,0,0|1,0,0]=3 91 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [1,0,0,1,0,0|1,0,0]=3 92 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 CS20735 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 MC442202 [0,0,0,1,1,0|0,0,0]=2 95 B15R2.29 C=C1CCN(CC2=CC=CC=C2)CC1 MC107666 [0,0,0,1,0,1|2,0,0]=4 96 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 MC106762 [0,0,0,1,0,1|1,0,0]=3 97 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 CS11701 [0,0,0,1,0,1|1,0,0]=3 98 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 CS20804 [0,0,0,1,0,1|2,0,0]=4 99 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 CS13481 [0,1,0,1,0,0|1,0,0]=3 100 B15R2.3 O=C1CCN(C2=CC=C(Br)C=C2)CC1 MC442723 [0,1,0,1,0,0|2,0,0]=4 101 B15R2.3 O=C1COC(C2=CC=C(F)C=C2)CN1 MC431267 [0,1,0,1,0,0|2,0,0]=4 102 B15R2.1559 COC(=O)C1CC1C2=CC=C(O)C=C2 MC429692 [0,1,0,1,0,0|2,0,0]=4 103 B15R2.50022 CN1C(=O)CCCC2=C1C=C(N)C=C2 MC104601 [0,1,0,1,0,0|2,0,0]=4 104 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 CS16761 [0,1,0,1,0,0|2,0,0]=4 105 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 MC10133 [0,1,0,1,0,0|2,0,0]=4 106 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 MC106735 [0,1,0,1,0,0|1,0,0]=3 107 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 MC442304 [0,1,0,1,0,0|2,0,0]=4 108 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 MC33311 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,1,0|1,0,0]=3 110 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,1,0|1,0,0]=3 111 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,1,0|2,0,0]=4 112 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,1,0|1,0,0]=3 113 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,1,0|1,0,0]=3 114 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,1,0|2,0,0]=4 116 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,2,0|0,0,0]=2 117 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,2,0|1,0,0]=3 118 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MC442446 [0,0,0,0,0,2|2,0,0]=4