0 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.28 C#CCNCC1=CC=CC=C1 4001797 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 C=CCNCC1=CC=CN=C1 9071233 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.28 C=CCNCC1=CC=NC=C1 9071732 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCCSC1=CC=CC=C1 4026933 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 NCCCSC1=CC=CC=C1 4110622 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 4013730 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 6187574 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4110663 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 4003361 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 4088460 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.348 CN(CC(=O)O)CC1=CN=CC=C1 4003359 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.348 CN(CC(=O)O)CC1=CN=CC=C1 4090519 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 4003360 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 4088525 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,1,0,0,0,0|0,0,1]=2 30 B13R1.513 CC(=O)CCSC1=CC=C(F)C=C1 4011074 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 4002816 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.718 CC(CO)CNCC1=CC=CC=C1 4088933 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.718 CC(CO)CNCC1=CC=CC=C1 9070552 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.718 NNC(=O)CCNC1=CC=CC=C1 4023493 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 4023661 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 4041019 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.10 O=C1CCN(C2=CC=CC=C2)C1 4015909 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.72 NC(=S)N1CCC2=C1C=CC=C2 4009979 [0,0,0,1,0,0|2,1,0]=4 39 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 4041027 [0,0,0,1,0,0|1,0,2]=4 40 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4046465 [0,0,0,1,0,0|2,0,0]=3 41 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,1,0|2,0,0]=3 42 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,1,0|1,0,0]=2 44 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,1,0|1,0,0]=2 45 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,0,0,0,1,0|2,0,0]=3 48 B11R1.172 O=C(O)CCCC1=CNN=C1 4002951 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.172 O=C(O)CCCN1C=CC=N1 4042881 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.172 O=C(O)CCCN1C=CN=C1 4022290 [0,0,0,0,1,0|2,0,0]=3 51 B11R1.172 O=C(O)CCCN1C=NC=N1 4002069 [0,0,0,0,1,0|3,0,0]=4 52 B11R1.172 O=C(O)CCCN1C=NC=N1 4088732 [0,0,0,0,1,0|3,0,0]=4 53 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4024826 [0,0,0,0,0,1|2,0,1]=4 54 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4089458 [0,0,0,0,0,1|2,0,1]=4 55 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5301711 [0,0,0,0,0,1|1,0,0]=2 56 B13R1.337 O=C(O)CCCCC1=CC=CN=C1 4073846 [0,0,0,0,0,1|1,0,0]=2 57 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 4091168 [0,0,0,0,0,1|0,0,0]=1 58 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5100474 [0,0,0,0,0,1|0,0,0]=1 59 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 4011398 [0,0,0,0,0,1|1,0,0]=2 60 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 ICCOC1=CC=CC=C1 5101649 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 NCCCC1=CC=CN=C1 4003523 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 NCCCC1=CC=NC=C1 4003521 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 NCCCC1=NC=CC=C1 4004571 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 NCCSC1=CC=CC=C1 4087772 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 OCCNC1=CC=CC=N1 5107563 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.1 C=CCNCC1=CC=C(Br)C=C1 4088407 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.1 C=CCNCC1=CC=C(Br)C=C1 9071341 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.1 C=CCNCC1=CC=C(C)C=C1 4089384 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.1 C=CCNCC1=CC=C(C)C=C1 9070773 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.1 C=CCNCC1=CC=C(Cl)C=C1 4090241 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.1 C=CCNCC1=CC=C(Cl)C=C1 9071055 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.1 C=CCNCC1=CC=C(F)C=C1 4091111 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.1 C=CCNCC1=CC=C(F)C=C1 9070515 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.1 CC1=CC=C(CNCCO)C=C1 4090339 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.1 CC1=CC=C(CNCCO)C=C1 9070464 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.1 CC1=CC=C(CSCCO)C=C1 9071815 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.1 OCCNCC1=CC=C(Br)C=C1 4089638 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.1 OCCNCC1=CC=C(Br)C=C1 7732645 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.1 OCCNCC1=CC=C(F)C=C1 4004526 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.1 OCCNCC1=CC=C(F)C=C1 4087814 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.1 OCCSCC1=CC=C(F)C=C1 9070910 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.8 CCCNCCC1=CC=CC=C1 6382736 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.8 CCNCCCC1=CC=CC=C1 4024844 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.8 CNCCCOC1=CC=CC=C1 9071185 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.8 CNCCCSC1=CC=CC=C1 4089624 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.8 CNCCCSC1=CC=CC=C1 9070836 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.8 OCCCNCC1=CC=CC=C1 5116282 [1,1,0,0,0,0|0,0,1]=3 90 B12R1.8 OCCCNCC1=CC=CN=C1 9071926 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.8 OCCCNCC1=CC=NC=C1 9071313 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.8 OCCSCCC1=CC=CC=N1 9070504 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.8 OCCSCCC1=CC=NC=C1 5104065 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.28 C=CCNCC1=CC=CC(Br)=C1 4089919 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.28 C=CCNCC1=CC=CC(Br)=C1 9071875 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.28 CC1=CC=CC(CSCCO)=C1 9070921 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.28 OCCSCC1=CC(F)=CC=C1 9071407 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.267 C=CCNCC1=CC=CC=C1C 4090217 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.267 C=CCNCC1=CC=CC=C1C 9070534 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.267 C=CCNCC1=CC=CC=C1Cl 9071870 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4004511 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4090043 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,0,0,1,0|0,0,2]=4 104 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.21 O=C(O)CCC1=NNC(=O)C=C1 4000141 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,1,0,0,1,0|0,0,2]=4 110 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,1,0|1,0,0]=3 111 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O 4400386 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,1,0|1,0,1]=4 113 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.125 O=C(O)CCN1C=CC=CC1=O 4043762 [0,1,0,0,1,0|1,0,0]=3 117 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.226 CC(=O)NCC1=CC(Br)=CC=C1 9070602 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,1,0,0,1,0|1,0,0]=3 124 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,0,0,1,0|0,0,2]=4 125 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,1,0,0,1,0|1,0,0]=3 126 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.130 CC1=NC=CN1CCCC(=O)O 4013965 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.130 CC1=NC=CN1CCCC(=O)O 4088526 [0,1,0,0,1,0|2,0,0]=4 129 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 5267605 [0,1,0,0,0,1|0,0,0]=2 130 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 4022512 [0,1,0,0,0,1|0,0,0]=2 131 B14R1.76 COC1=CC=CC(CNCC(=O)O)=C1 4003037 [0,2,0,0,0,0|1,0,0]=3 132 B14R1.4250 OC(=O)CSCC1=CC(C)=CC(C)=C1 6198287 [0,2,0,0,0,0|1,0,0]=3 133 B14R1.5978 CC1=CC=CC(NC(=O)CC(=O)O)=C1 4024703 [0,2,0,0,0,0|1,0,1]=4 134 B14R1.96 COC1=C(CNCC(=O)O)C=CC=C1 4090237 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.96 COC1=C(CNCC(=O)[O-])C=CC=C1 4003036 [0,2,0,0,0,0|1,0,1]=4 136 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 9071636 [0,2,0,0,0,0|1,0,0]=3 137 B14R1.1485 CC(=O)CC(C)(C)NC1=CC=CC=C1 4091164 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.1485 CC(=O)CC(C)(C)NC1=CC=CC=C1 5230713 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.679 CC(SCC1=CC=C(Cl)C=C1)C(=O)O 9012800 [0,2,0,0,0,0|1,0,0]=3 140 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 4002818 [0,2,0,0,0,0|0,0,0]=2 141 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 4003038 [0,2,0,0,0,0|1,0,0]=3 142 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 9071189 [0,2,0,0,0,0|2,0,0]=4 143 B12R2.41 C1=CC2=C(C=C1)OCCNC2 4087976 [1,0,0,1,0,0|1,0,1]=4 144 B12R2.41 C1=CC2=C(C=C1)OCCNC2 4102535 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [1,0,0,1,0,0|1,0,0]=3 146 B12R2.1081 OC1CNCC2=CC=CC=C21 4020540 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,1,1,0|1,0,0]=3 148 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,1,1,0|1,0,0]=3 149 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C21 4402478 [0,0,0,1,0,1|1,0,1]=4 150 B14R2.2 O=C(O)CC1CCC2=CC=CC=C21 4016075 [0,0,0,1,0,1|0,0,0]=2 151 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 4032167 [0,0,0,1,0,1|0,0,2]=4 152 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 4401754 [0,0,0,1,0,1|1,0,1]=4 153 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C21 4402492 [0,0,0,1,0,1|1,0,1]=4 154 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 4026758 [0,0,0,1,0,1|1,0,0]=3 155 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 4000343 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 4400292 [0,1,0,1,0,0|1,0,1]=4 157 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 4006215 [0,1,0,1,0,0|1,0,1]=4 158 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4003155 [0,1,0,1,0,0|1,0,0]=3 159 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 4403032 [0,1,0,1,0,0|2,0,0]=4 160 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 4001966 [0,1,0,1,0,0|2,0,0]=4 161 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 4027538 [0,1,0,1,0,0|2,0,0]=4 162 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 4005920 [0,1,0,1,0,0|1,0,0]=3 163 B14R2.4586 CC1=C(C2=CC=CC=C2)C1C(=O)O 5326629 [0,1,0,1,0,0|0,0,2]=4 164 B14R2.20 O=C1CCN(C2=CC=C(F)C=C2)C1 4015847 [0,1,0,1,0,0|2,0,0]=4 165 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 4023676 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,2,0|2,0,0]=4 167 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,2,0|2,0,0]=4 168 B10R1.66 O=C(O)CCC1=CC=NO1 4018161 [0,0,0,0,2,0|2,0,0]=4 169 B10R1.66 O=C(O)CCC1=CNN=C1 4014470 [0,0,0,0,2,0|2,0,0]=4 170 B10R1.66 O=C(O)CCC1=CSC=C1 4014842 [0,0,0,0,2,0|1,0,0]=3 171 B10R1.66 O=C(O)CCN1C=CC=C1 4027042 [0,0,0,0,2,0|1,0,0]=3 172 B10R1.66 O=C(O)CCN1C=CC=N1 4004233 [0,0,0,0,2,0|2,0,0]=4 173 B10R1.66 O=C(O)CCN1C=CC=N1 4089879 [0,0,0,0,2,0|2,0,0]=4 174 B10R1.66 O=C(O)CCN1C=CN=C1 4033868 [0,0,0,0,2,0|2,0,0]=4 175 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 4091220 [0,0,0,0,0,2|1,0,0]=3 176 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 5301488 [0,0,0,0,0,2|1,0,0]=3