0 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,0,1,0,0,0|3,0,0]=4 1 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,0,1,0,0,0|3,0,0]=4 2 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,0,1,0,0,0|3,0,0]=4 3 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,0,1,0,0,0|3,0,0]=4 4 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,0,1,0,0,0|3,0,0]=4 5 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,0,1,0,0,0|3,0,0]=4 8 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [0,0,1,0,0,0|2,0,1]=4 13 B10R1.17 CCNCC1=NC=CC=C1 9070750 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.17 CNCCC1=CC=NC=C1 4004718 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.17 CNCCC1=CC=NC=C1 4087817 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.17 ICCOC1=CC=CC=C1 5101649 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [0,0,1,0,0,0|1,0,2]=4 18 B10R1.17 NCCCC1=CC=CN=C1 4003523 [0,0,1,0,0,0|1,0,0]=2 19 B10R1.17 NCCCC1=CC=NC=C1 4003521 [0,0,1,0,0,0|1,0,0]=2 20 B10R1.17 NCCCC1=NC=CC=C1 4004571 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.17 NCCNC1=CC=CN=C1 4019594 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.17 NCCSC1=CC=CC=C1 4087772 [0,0,1,0,0,0|1,0,0]=2 23 B10R1.17 NCCSC1=NC=CC=C1 4004872 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [0,0,1,0,0,0|0,0,2]=3 25 B10R1.17 OCCNC1=CC=CC=N1 5107563 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,1,0,0,0|1,0,0]=2 29 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,1,0,0,0|2,0,1]=4 34 B12R2.22 NC1CC(C2=CC=NC=C2)C1 4108210 [0,0,0,0,0,1|1,0,0]=2 35 B12R2.22 NC1CC(C2=CN=CC=C2)C1 4108204 [0,0,0,0,0,1|1,0,0]=2 36 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,0,0,1|1,0,1]=3 37 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,0,0,1|1,0,1]=3 38 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [0,1,1,0,0,0|0,0,2]=4 46 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,1,1,0,0,0|2,0,0]=4 49 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,1,1,0,0,0|0,0,0]=2 51 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [0,1,1,0,0,0|1,0,1]=4 52 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,1,1,0,0,0|2,0,0]=4 53 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,1,1,0,0,0|2,0,0]=4 54 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,1,1,0,0,0|2,0,0]=4 55 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,1,1,0,0,0|1,0,0]=3 56 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,1,0,0,0|2,0,0]=4 58 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,1,0,0,0|2,0,0]=4 60 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,1,0,0,0|2,0,0]=4 61 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.23 NCC(O)C1=CC=CC(=O)N1 4062727 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.1 CC1=CC=C(CCCN)C=C1 4016876 [0,1,1,0,0,0|0,0,0]=2 77 B11R1.1 CC1=CC=C(SCCN)C=C1 6873887 [0,1,1,0,0,0|1,0,0]=3 78 B11R1.1 CCCSC1=CC=C(N)C=C1 9071293 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.1 NCCCC1=CC=C(Cl)C=C1 4101635 [0,1,1,0,0,0|0,0,0]=2 86 B11R1.1 NCCCC1=CC=C(F)C=C1 4016879 [0,1,1,0,0,0|0,0,0]=2 87 B11R1.1 NCCOC1=CC=C(Br)C=C1 4030874 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4028889 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.1 NCCOC1=CC=C(F)C=C1 4015013 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.1 NCCOC1=CC=C(F)C=C1 4090877 [0,1,1,0,0,0|1,0,0]=3 91 B11R1.17 CC1=C(NCCN)C=CN=C1 4014008 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.17 CC1=C(NCCN)N=CC=C1 4019581 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.17 CC1=C(OCCN)C=CC=C1 4030987 [0,1,1,0,0,0|1,0,0]=3 94 B11R1.17 CC1=C(OCCN)C=CC=C1 4089934 [0,1,1,0,0,0|1,0,0]=3 95 B11R1.17 CCCSC1=CC=CC=C1N 4088576 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.17 CCCSC1=CC=CC=C1N 9070713 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.17 CCNCC1=CC=CC=C1C 4028579 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.17 CCNCC1=CC=CC=C1Cl 4024924 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.17 CCNCC1=CC=CC=C1Cl 4089658 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.17 NCCCC1=C(F)C=CC=C1 4019782 [0,1,1,0,0,0|0,0,0]=2 101 B11R1.17 NCCCC1=CC=CC=C1Cl 4087888 [0,1,1,0,0,0|0,0,0]=2 102 B11R1.17 NCCCN1C=CC=CC1=O 4044394 [0,1,1,0,0,0|1,0,0]=3 103 B11R1.17 NCCOC1=CC=CC=C1Cl 4026894 [0,1,1,0,0,0|1,0,0]=3 104 B11R1.17 NCCOC1=CC=CC=C1F 4015039 [0,1,1,0,0,0|1,0,0]=3 105 B11R1.17 NCCOC1=CC=CC=C1F 4090505 [0,1,1,0,0,0|1,0,0]=3 106 B11R1.24 CC1=CC(CCCN)=CC=C1 4028384 [0,1,1,0,0,0|0,0,0]=2 107 B11R1.24 CC1=CC(OCCN)=CC=C1 4001815 [0,1,1,0,0,0|1,0,0]=3 108 B11R1.24 CC1=CC=NC(NCCN)=C1 4019599 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.24 CCNCC1=CC=CC(Br)=C1 4027171 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.24 CCNCC1=CC=CC(Br)=C1 4089307 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.24 NC1=CC(OCCCl)=CC=C1 4028361 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.24 NC1=CC(OCCCl)=CC=C1 4090880 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.24 NC1=CC=CC(OCCO)=C1 4030762 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.24 NCCCC1=CC(F)=CC=C1 4019785 [0,1,1,0,0,0|0,0,0]=2 115 B11R1.24 NCCOC1=CC(Cl)=CC=C1 4015036 [0,1,1,0,0,0|1,0,0]=3 116 B11R1.28 C#CCNCC1=CC=CC=C1 4001797 [0,1,1,0,0,0|1,0,1]=4 117 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [0,1,1,0,0,0|1,0,1]=4 118 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [0,1,1,0,0,0|1,0,1]=4 119 B11R1.28 CCCNCC1=CC=CN=C1 9071848 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.28 CCCNCC1=CC=NC=C1 9070548 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.28 CCCNCC1=NC=CC=C1 9071343 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [0,1,1,0,0,0|1,0,0]=3 123 B11R1.28 NCCCNC1=CC=CN=C1 4019595 [0,1,1,0,0,0|1,0,0]=3 124 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [0,1,1,0,0,0|0,0,0]=2 125 B11R1.28 NCCCOC1=CN=CC=C1 4004844 [0,1,1,0,0,0|1,0,0]=3 126 B11R1.28 NCCCSC1=CC=CC=C1 4026933 [0,1,1,0,0,0|0,0,0]=2 127 B11R1.28 NCCCSC1=CC=CC=C1 4110622 [0,1,1,0,0,0|0,0,0]=2 128 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [0,1,1,0,0,0|0,0,0]=2 129 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [0,1,1,0,0,0|0,0,0]=2 130 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [0,1,1,0,0,0|0,0,0]=2 131 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [0,1,1,0,0,0|0,0,0]=2 132 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,1,1,0,0,0|1,0,1]=4 134 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,1,1,0,0,0|0,0,1]=3 135 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,1,1,0,0,0|1,0,1]=4 136 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,1,0,0,0|1,0,1]=4 139 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,1,0,0,0|1,0,1]=4 140 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,1,1,0,0,0|2,0,0]=4 144 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4108227 [0,1,1,0,0,0|1,0,1]=4 146 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,1,0,0,0|1,0,1]=4 147 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [1,1,0,0,0,0|0,0,0]=2 148 B11R2.35 OC1=NC=NC(C2CC2)=C1 4037502 [1,1,0,0,0,0|2,0,0]=4 149 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [1,1,0,0,0,0|0,0,0]=2 150 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [1,1,0,0,0,0|0,0,0]=2 151 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,1,1,0,0|1,0,1]=4 152 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,1,1,0,0|2,0,0]=4 153 B11R2.239 C1=CC(C2CNC2)=CC=N1 4038720 [0,0,1,1,0,0|1,0,0]=3 154 B11R2.20 C1=CC2=C(C=C1)OCCN2 4005008 [0,0,1,1,0,0|1,0,0]=3 155 B9R1.11 CC(CN)N1C=CC=N1 4028321 [0,0,1,0,1,0|2,0,0]=4 156 B9R1.12 NCCCC1=CC=CO1 4028902 [0,0,1,0,1,0|1,0,0]=3 157 B9R1.12 NCCCC1=NC=CN1 4013125 [0,0,1,0,1,0|2,0,0]=4 158 B9R1.12 NCCCN1C=CC=C1 4027319 [0,0,1,0,1,0|1,0,0]=3 159 B9R1.12 NCCCN1C=CC=N1 4004508 [0,0,1,0,1,0|2,0,0]=4 160 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,0,1,0,1,0|2,0,0]=4 161 B9R2.2 C1=NNC(C2CC2)=C1 4031734 [1,0,0,0,1,0|2,0,0]=4 162 B13R2.10 NC1CCN(C2=CC=CC=C2)C1 4015855 [0,0,0,0,0,2|1,0,0]=3