0 B11R1.3 CC(C)C1=NC=C(C=O)C=N1 4014574 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CN(C)C1=CC=C(C=O)C=N1 4031903 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 CN(C)C1=NC=C(C=O)C=N1 4010270 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.3 CCC1=NC=C(C=O)C=N1 4014572 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.3 CSC1=NC=C(C=O)C=N1 4010269 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 4043859 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC(C)C1=CNC(=O)N=C1 4044144 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CN(C)C1=NC=C(N)C=C1 4108176 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.5 CCN(C)C1=CC=C(C=O)C=C1 4028755 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=N1 4025312 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4003840 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4090721 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.113 CCOC1=CC=C([C@@H](C)N)C=C1 4105790 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 4104871 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 4013893 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.256 CC(C)C1=CC=C([C@@H](C)N)C=C1 4099628 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 4096619 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=N1 4025311 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 4016049 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 4200597 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 6052841 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.31 CC(C)C1=CSC(C=O)=N1 4009803 [0,0,0,0,1,0|2,0,0]=3 44 B10R1.31 CC(C)C1=NOC(C=O)=C1 4035651 [0,0,0,0,1,0|2,0,0]=3 45 B10R1.31 CC(C)N1C=C(C=O)C=N1 4003133 [0,0,0,0,1,0|2,0,0]=3 46 B10R1.31 CC(C)N1C=CC(C=O)=C1 4036076 [0,0,0,0,1,0|1,0,0]=2 47 B12R1.4 CC(C)NC1=NC=C(C=O)C=N1 4026231 [0,0,0,0,0,1|2,0,0]=3 48 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 3002150 [0,0,0,0,0,1|0,0,0]=1 49 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4014715 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.83 CCC1=CC=C(CNN)C=C1 4015024 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.83 CCC1=CC=C(N=C=O)C=C1 3002639 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.83 CCOC1=CC=C(C=O)C=N1 4031638 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.83 CCSC1=NC=C(C=O)C=N1 4013717 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.83 COCC1=NC=C(C=O)C=N1 4026767 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.279 COC1=CC=C(C=O)C=C1Cl 6945816 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.279 COC1=CC=C(C=O)C=C1F 4303013 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [1,1,0,0,0,0|0,0,1]=3 62 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 4036059 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4028308 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4034820 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 CN(C)C1=C(F)C=C(N)C=C1 4090735 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4029249 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4030523 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 4087916 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.45 CC(C)(C)C1=CC(C=O)=NN1 4019852 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.45 CC(C)(C)N1C=CC(C=O)=C1 4029268 [0,1,0,0,1,0|1,0,0]=3 94 B11R1.175 CC(C)C1=CSC(C(=O)[O-])=N1 4009802 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 4003979 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 4010759 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 4003136 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.175 CC(C)N1C=CC(C(=O)O)=C1 4003198 [0,1,0,0,1,0|1,0,0]=3 99 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 4045275 [0,1,0,0,1,0|2,0,0]=4 100 B13R1.4 O=CC1=CC=C(CC(F)(F)F)C=C1 4039357 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.5 CCC(C)SC1=NC=C(C=O)C=N1 4022158 [0,1,0,0,0,1|2,0,0]=4 102 B13R1.36 CC(C1=CC=C(C=O)C=C1)N(C)C 4015543 [0,1,0,0,0,1|1,0,0]=3 103 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 4012310 [0,1,0,0,0,1|1,0,1]=4 104 B13R1.585 CC(=O)C1=CC=C(OC(C)C)C=C1 3001494 [0,1,0,0,0,1|0,0,0]=2 105 B13R1.585 CC(C)NC1=NC=C(C(=O)O)C=N1 4026230 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 4009733 [0,1,0,0,0,1|1,0,1]=4 107 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 4014708 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.39 CCC(NC)C1=CC=C(OC)C=C1 6789929 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.39 COC(OC)C1=CC=C(CN)C=C1 4110511 [0,2,0,0,0,0|1,0,1]=4 110 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 4088149 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 5580132 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.537 CC(C)C1=CC=C(C(=O)NN)C=C1 3014968 [0,2,0,0,0,0|0,0,0]=2 113 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 3000308 [0,2,0,0,0,0|0,0,0]=2 114 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 4030859 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 3018452 [0,2,0,0,0,0|0,0,0]=2 116 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 3001657 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.537 COC(C)C1=CC=C(B(O)O)C=C1 4009732 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4013951 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 3002707 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 3007456 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 4032337 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(=O)N1 4030763 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.74 CC(C)C1=CC=C(CCCN)C=C1 4016878 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 4015031 [0,2,0,0,0,0|1,0,1]=4 125 B13R1.74 CCNCC1=CC=C(C(C)C)C=C1 4088580 [0,2,0,0,0,0|1,0,1]=4 126 B13R1.74 CCNCC1=CC=C(C(C)C)C=C1 9070625 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.43 CC(C)CC1=CC=C(C=O)S1 4016142 [0,0,1,1,0,0|1,0,1]=4 128 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [1,0,0,1,0,0|1,0,0]=3 129 B13R2.2121 CC1CC2=CC(C=O)=CC=C2O1 4017150 [0,0,0,1,0,1|0,0,0]=2 130 B13R2.2121 CC1CC2=CC(CN)=CC=C2O1 4017151 [0,0,0,1,0,1|1,0,1]=4 131 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 4027626 [0,1,0,1,0,0|1,0,1]=4 132 B13R2.430 CC(N)C1=CC=C2NC=CC2=C1 4102139 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 4035935 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.21 CCC1=NNC(C=O)=C1 4041328 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.21 CCC1=NOC(C=O)=C1 4035019 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.21 CCN1C=C(C=O)C=N1 4003132 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.21 CCN1C=NC(C=O)=C1 4110424 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [1,0,0,0,1,0|1,0,0]=3 139 B9R1.21 O=CC1=CC(CCl)=CS1 4035342 [1,0,0,0,1,0|2,0,0]=4 140 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [1,0,0,0,0,1|1,0,0]=3 141 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [1,0,0,0,0,1|1,0,0]=3 142 B11R1.266 CC(C)C1=NC(C=O)=CC=N1 4031560 [0,0,0,0,1,1|1,0,0]=3 143 B13R1.3 C=C(C)COC1=CC=C(C=O)C=C1 9071705 [0,0,0,0,0,2|0,0,2]=4 144 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4014221 [0,0,0,0,0,2|2,0,0]=4 145 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4090497 [0,0,0,0,0,2|2,0,0]=4