0 B13R1.42 CCCC(C)NCC1=CC=CC=C1 4024859 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.42 CCCC(C)NCC1=CC=CC=C1 4088657 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.42 CN(CCN)CCC1=CC=CC=C1 4014703 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.8 CCCCNCC1=CC=CN=C1 4089239 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.8 CCCCNCC1=CC=CN=C1 9070460 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.8 CCCCNCC1=CC=NC=C1 4090221 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 CCCCNCC1=CC=NC=C1 9071932 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCNCC1=NC=CC=C1 9071532 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 CCCNCCC1=CC=CC=C1 6382736 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.8 CCNCCCC1=CC=CC=C1 4024844 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 OCCCNCC1=CC=CC=C1 5116282 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [1,0,0,0,0,0|2,0,0]=3 14 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 5107273 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.502 CC1=CC=C(CNC(=O)CCCl)C=C1 5567923 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.502 O=C(CCCl)NCC1=CC=C(Cl)C=C1 7290491 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.502 O=C(CCCl)NCC1=CC=C(F)C=C1 7250082 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 5144041 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.598 O=C(CCCl)NCC1=C(F)C=CC=C1 9071390 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 4040295 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 4024869 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.436 N[C@H]1C[C@H](OCC2=CC=CC=C2)C1 4066232 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [0,0,0,0,1,0|2,0,0]=3 24 B12R1.32 O=C(CCCl)NC1=CN=CC=C1 4088168 [0,0,0,0,1,0|3,0,0]=4 25 B12R1.32 O=C(CCCl)NC1=CN=CC=C1 5522444 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.51 O=C(CCCl)NCC1=CC=CO1 5344117 [0,0,0,0,1,0|3,0,0]=4 27 B12R1.51 O=C(CCCl)NCC1=CC=CS1 7248309 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.28 CCCNCC1=CC=CN=C1 9071848 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.28 CCCNCC1=CC=NC=C1 9070548 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.28 CCCNCC1=NC=CC=C1 9071343 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [2,0,0,0,0,0|1,1,0]=4 36 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [2,0,0,0,0,0|1,1,0]=4 37 B13R1.6 CCCCNCC1=CC=CC(Br)=C1 4088144 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.6 CCCCNCC1=CC=CC(Br)=C1 9071282 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.6 CCCCNCC1=CC=CC(Cl)=C1 4089306 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.6 CCCCNCC1=CC=CC(Cl)=C1 9071982 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.9 CCCCNCC1=CC=C(Br)C=C1 4022325 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.9 CCCCNCC1=CC=C(Br)C=C1 4090515 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.9 CCCCNCC1=CC=C(C)C=C1 4024842 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.9 CCCCNCC1=CC=C(C)C=C1 4089946 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.9 CCCCNCC1=CC=C(Cl)C=C1 4022329 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.9 CCCCNCC1=CC=C(Cl)C=C1 4089781 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.9 CCCCNCC1=CC=C(F)C=C1 9071894 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.28 COCCCNCC1=CC=CC=C1 4004359 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.28 COCCCNCC1=CC=CC=C1 4089774 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.555 CCCCNCC1=CC=CC=C1C 4090210 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.555 CCCCNCC1=CC=CC=C1C 9070535 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.555 CCCCNCC1=CC=CC=C1Cl 4024926 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.555 CCCCNCC1=CC=CC=C1Cl 4090392 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.555 CCCCNCC1=CC=CC=C1F 4089776 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.555 CCCCNCC1=CC=CC=C1F 9071372 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 4023675 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 4022585 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4045080 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 4032190 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 9070652 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 4034313 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 4089715 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 4032084 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.19 CC1=CC=C(NC(=O)CCN)C=C1 4027238 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.19 CC1=CC=C(NC(=O)CCN)C=C1 4088902 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.19 CCCC(=O)NC1=CC=C(Br)C=C1 5625303 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.19 CCNC(=O)CC1=CC=C(Br)C=C1 6608061 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 4028134 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.19 COCC(=O)NC1=CC=C(Br)C=C1 6634537 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 4026850 [0,1,0,0,1,0|2,0,0]=4 71 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 4027457 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.19 NCCC(=O)NC1=CC=C(F)C=C1 4088994 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=C1 5356305 [0,1,0,0,1,0|2,0,0]=4 74 B13R1.20 CC1=CC=CC(NC(=O)CCN)=C1 4027497 [0,1,0,0,1,0|2,0,0]=4 75 B13R1.20 CC1=CC=CC(NC(=O)CCN)=C1 4089926 [0,1,0,0,1,0|2,0,0]=4 76 B13R1.20 CCCC(=O)NC1=CC=CC(N)=C1 4028448 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.20 CCCC(=O)NC1=CC=CC(O)=C1 4021778 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.20 CCOC(=O)CC1=NC(Cl)=CC=C1 4110389 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.20 CCOC(=O)NC1=CC=CC(N)=C1 4027008 [0,1,0,0,1,0|2,0,0]=4 80 B13R1.20 CCOC(=O)NC1=CC=CC(N)=C1 4088195 [0,1,0,0,1,0|2,0,0]=4 81 B13R1.20 COCC(=O)NC1=CC(Br)=CC=C1 6637255 [0,1,0,0,1,0|2,0,0]=4 82 B13R1.20 COCC(=O)NC1=CC=CC(N)=C1 4028723 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.20 COCC(=O)NC1=CC=CC(N)=C1 4089554 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.20 NCCC(=O)NC1=CC=CC(F)=C1 4026921 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.20 NCCC(=O)NC1=CC=CC(F)=C1 4090450 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.20 O=C(CCCl)NC1=CC=CC(F)=C1 5545194 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.20 O=C(CCCl)NC1=CC=CC(O)=C1 6018839 [0,1,0,0,1,0|2,0,0]=4 88 B13R1.470 CC1=C(NC(=O)CCCl)C=CC=C1 5349373 [0,1,0,0,1,0|2,0,0]=4 89 B13R1.470 CC1=CC=CC=C1NC(=O)CCN 4028164 [0,1,0,0,1,0|2,0,0]=4 90 B13R1.470 CC1=CC=CC=C1NC(=O)CCN 4089178 [0,1,0,0,1,0|2,0,0]=4 91 B13R1.470 CCCC(=O)NC1=CC=CC=C1Br 5620330 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.470 COCC(=O)NC1=C(Br)C=CC=C1 6634987 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.470 NCCC(=O)NC1=CC=CC=C1F 4028652 [0,1,0,0,1,0|2,0,0]=4 94 B13R1.470 NCCC(=O)NC1=CC=CC=C1F 4090337 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.470 O=C(CCCl)NC1=CC=CC=C1F 5348280 [0,1,0,0,1,0|2,0,0]=4 96 B15R1.1076 CC(=O)CC(=O)NC(C)C1=CC=CC=C1 5222281 [0,2,0,0,0,0|1,0,1]=4 97 B15R1.793 COC1=CC=C(CNC(=O)CCCl)C=C1 5238058 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.870 CC(=O)CC(=O)NCC1=CC=C(C)C=C1 7361334 [0,2,0,0,0,0|1,0,1]=4 99 B15R1.870 CC(=O)CC(=O)NCC1=CC=C(Cl)C=C1 6085090 [0,2,0,0,0,0|1,0,1]=4 100 B15R1.870 CC(=O)CC(=O)NCC1=CC=C(F)C=C1 5276144 [0,2,0,0,0,0|1,0,1]=4 101 B15R1.130 CC(=O)CC(=O)NCC1=CC=CC=C1Cl 6085082 [0,2,0,0,0,0|1,0,1]=4 102 B15R1.768 COC1=CC=CC=C1CNC(=O)CCCl 5357929 [0,2,0,0,0,0|2,0,0]=4 103 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 4003675 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 4036679 [1,0,0,1,0,0|1,0,1]=4 105 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 4001187 [1,0,0,1,0,0|1,0,1]=4 106 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4039696 [1,0,0,1,0,0|1,0,1]=4 107 B13R2.10 O=C1CCN(C2=CC=CC=C2)C1 4015909 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.26 NCCC1=NC2=CC=CC=C2O1 4101051 [0,0,0,1,1,0|2,0,0]=4 110 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 4036407 [0,0,0,1,1,0|2,0,0]=4 111 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4046465 [0,0,0,1,1,0|2,0,0]=4 112 B13R2.328 NC1CC(=O)NC2=CC=CC=C21 4013764 [0,0,0,1,1,0|2,0,0]=4 113 B15R2.31 O=C1CNC[C@H](CC2=CC=CC=C2)N1 4069109 [0,0,0,1,0,1|2,0,0]=4 114 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 5104252 [0,1,0,1,0,0|2,0,0]=4 115 B15R2.38 O=C1NCCN[C@H]1CC2=CC=CC=C2 4005822 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.1995 OC[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 4091293 [0,1,0,1,0,0|1,0,1]=4 117 B15R2.1995 OC[C@H]1C[C@H](OCC2=CC=CC=C2)C1 4091265 [0,1,0,1,0,0|1,0,1]=4 118 B15R2.2195 C1=CC=C(COC2CCNCC2)C=C1 4002977 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [1,0,0,0,1,0|2,0,0]=4 120 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,0,0,0,2,0|1,0,1]=4 123 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,0,0,0,2,0|1,0,1]=4 124 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,0,0,0,2,0|1,0,1]=4 125 B11R1.30 CCCC(=O)CC1=CC=CO1 4027908 [0,0,0,0,2,0|1,0,0]=3