0 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCNCC1=NC=CC=C1 9070750 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CNCCC1=CC=NC=C1 4004718 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 CNCCC1=CC=NC=C1 4087817 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 ICCOC1=CC=CC=C1 5101649 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 NCCCC1=CC=CN=C1 4003523 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 NCCCC1=CC=NC=C1 4003521 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCCCC1=NC=CC=C1 4004571 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NCCNC1=CC=CN=C1 4019594 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 NCCSC1=CC=CC=C1 4087772 [0,0,0,0,0,0|1,1,0]=2 12 B10R1.17 NCCSC1=NC=CC=C1 4004872 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 OCC#CC1=CN=CN=C1 9071160 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 OCCNC1=CC=CC=N1 5107563 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.1 C#CCOC1=CC=C(N)C=C1 4039862 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.1 CC1=CC=C(CCCN)C=C1 4016876 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.1 CC1=CC=C(SCCN)C=C1 6873887 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.1 CCCSC1=CC=C(N)C=C1 9071293 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.1 N#CCOC1=CC=C(Br)C=C1 4029062 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.1 NCCCC1=CC=C(Cl)C=C1 4101635 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.1 NCCCC1=CC=C(F)C=C1 4016879 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.1 NCCOC1=CC=C(Br)C=C1 4030874 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4028889 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.1 NCCOC1=CC=C(F)C=C1 4015013 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.1 NCCOC1=CC=C(F)C=C1 4090877 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.1 OCCSC1=CC=C(Cl)N=N1 4035582 [0,1,0,0,0,0|2,1,0]=4 42 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.17 C#CCOC1=C(N)C=CC=C1 4041253 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.17 C#CCOC1=C(N)C=CC=C1 4088026 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.17 C=CCOC1=CC=CC=C1N 4023578 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.17 C=CCOC1=CC=CN=C1N 4030134 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.17 CC1=C(NCCN)C=CN=C1 4014008 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.17 CC1=C(NCCN)N=CC=C1 4019581 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.17 CC1=C(OCCN)C=CC=C1 4030987 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.17 CC1=C(OCCN)C=CC=C1 4089934 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.17 CCCSC1=CC=CC=C1N 4088576 [0,1,0,0,0,0|1,1,0]=3 57 B11R1.17 CCCSC1=CC=CC=C1N 9070713 [0,1,0,0,0,0|1,1,0]=3 58 B11R1.17 CCNCC1=CC=CC=C1C 4028579 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.17 CCNCC1=CC=CC=C1Cl 4024924 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.17 CCNCC1=CC=CC=C1Cl 4089658 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.17 COCOC1=CC=CC=C1Br 4003017 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.17 NCCCC1=C(F)C=CC=C1 4019782 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.17 NCCCC1=CC=CC=C1Cl 4087888 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.17 NCCCN1C=CC=CC1=O 4044394 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.17 NCCOC1=CC=CC=C1Cl 4026894 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.17 NCCOC1=CC=CC=C1F 4015039 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.17 NCCOC1=CC=CC=C1F 4090505 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.24 C=CCOC1=CC=CC(N)=C1 4023582 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.24 CC1=CC(CCCN)=CC=C1 4028384 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.24 CC1=CC(OCCN)=CC=C1 4001815 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.24 CC1=CC=NC(NCCN)=C1 4019599 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.24 CCNCC1=CC=CC(Br)=C1 4027171 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.24 CCNCC1=CC=CC(Br)=C1 4089307 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.24 NC1=CC(OCCCl)=CC=C1 4028361 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.24 NC1=CC(OCCCl)=CC=C1 4090880 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.24 NC1=CC=CC(OCCO)=C1 4030762 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.24 NCCCC1=CC(F)=CC=C1 4019785 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.24 NCCOC1=CC(Cl)=CC=C1 4015036 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.24 OCCNC1=NC=NC(Cl)=C1 7404777 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.28 C#CCNCC1=CC=CC=C1 4001797 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.28 CCCNCC1=CC=CN=C1 9071848 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.28 CCCNCC1=CC=NC=C1 9070548 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.28 CCCNCC1=NC=CC=C1 9071343 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.28 NCCCNC1=CC=CN=C1 4019595 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.28 NCCCOC1=CN=CC=C1 4004844 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.28 NCCCSC1=CC=CC=C1 4026933 [0,1,0,0,0,0|1,1,0]=3 91 B11R1.28 NCCCSC1=CC=CC=C1 4110622 [0,1,0,0,0,0|1,1,0]=3 92 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [0,1,0,0,0,0|1,1,0]=3 95 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [0,1,0,0,0,0|1,1,0]=3 96 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,1,0,0,0,0|1,1,1]=4 104 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,1,0,0|1,0,0]=2 105 B11R2.20 C1=CC2=C(C=C1)OCCN2 4005008 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.12 NCCCC1=CC=CO1 4028902 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.12 NCCCN1C=CC=C1 4027319 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.12 OCCCC1=CNN=C1 4002908 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.12 OCCCC1=CON=C1 4009738 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.12 OCCCN1C=CC=N1 4010681 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.12 OCCCN1C=CN=C1 4010926 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.12 OCCCN1C=CN=C1 4088216 [0,0,0,0,1,0|3,0,0]=4 113 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.1 CCOC1=CC=C(Cl)N=N1 4032638 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|0,1,0]=3 118 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|0,1,0]=3 119 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.4 CC1=CC=CN=C1CCO 4040975 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.4 CCOC1=CC=CN=C1N 4027510 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|0,1,0]=3 129 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|0,1,0]=3 130 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.10 CCOC1=CC=NC(Cl)=N1 4035418 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.21 OCCNCC1=CC=CO1 9072041 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.21 OCCNCC1=CC=CS1 4003031 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.1 CC1=CC=C(CNCCO)C=C1 4090339 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.1 CC1=CC=C(CNCCO)C=C1 9070464 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.1 CC1=CC=C(CSCCO)C=C1 9071815 [0,2,0,0,0,0|0,1,0]=3 153 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4022327 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4089192 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.1 CCCNCC1=CC=C(F)C=C1 4088361 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.1 CCCNCC1=CC=C(F)C=C1 9070448 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.1 CNCCOC1=CC=C(C)C=C1 4003089 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.1 CNCCOC1=CC=C(C)C=C1 4087777 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.1 CNCCSC1=CC=C(C)C=C1 4089614 [0,2,0,0,0,0|1,1,0]=4 160 B12R1.1 CNCCSC1=CC=C(C)C=C1 9071937 [0,2,0,0,0,0|1,1,0]=4 161 B12R1.1 COCCOC1=CC=C(N)C=C1 4003841 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.1 NCCCSC1=CC=C(Cl)C=C1 4032953 [0,2,0,0,0,0|1,1,0]=4 163 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 9070890 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.1 OCCNCC1=CC=C(Br)C=C1 4089638 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.1 OCCNCC1=CC=C(Br)C=C1 7732645 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.1 OCCNCC1=CC=C(F)C=C1 4004526 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.1 OCCNCC1=CC=C(F)C=C1 4087814 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.1 OCCSCC1=CC=C(F)C=C1 9070910 [0,2,0,0,0,0|0,1,0]=3 169 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [0,2,0,0,0,0|1,0,1]=4 171 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [0,2,0,0,0,0|1,0,1]=4 172 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 4027657 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4013688 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4090822 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,2,0,0,0,0|0,0,2]=4 177 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,2,0,0,0,0|1,0,0]=3 180 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.69 CC1=CC(C)=C(OCCBr)C=C1 5580615 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.69 CCCOC1=C(Cl)C=C(N)C=C1 4028610 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 4015099 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.71 CCC1=CC=C(OCCN)C=C1 4033258 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.71 COC1=CC=C(OCCCl)C=C1 9071331 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.71 COCOC1=CC=C(C=O)C=C1 4110413 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.71 O=CC1=CC=C(C#CCO)C=C1 4030736 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 4089285 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 6679953 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 4027273 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.121 C=CCOC1=CC=CC=C1CO 9071818 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.121 CCCOC1=C(CN)C=CC=C1 4027329 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.121 CCCOC1=CC=CC=C1C=O 3005414 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.121 CCCOC1=CC=CC=C1CO 9071567 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.121 COC1=CC=CC=C1CCCN 4016891 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.121 N#CC1=CC=CC=C1C#CCO 4030363 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.121 N#CCOC1=C(C=O)C=CC=C1 4029763 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.125 C=C(C)COC1=CC=CC=C1N 4023577 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.125 C=C(C)COC1=CC=CC=C1N 4089397 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.125 CC(C)COC1=C(N)C=CC=C1 4017584 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.125 CC(C)COC1=CC=CC=C1O 7365290 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.125 CC1=C(OCC(C)N)C=CC=C1 4026980 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,2,0,0,0,0|0,1,1]=4 209 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,2,0,0,0,0|0,0,2]=4 210 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,2,0,0,0,0|0,0,1]=3 212 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,2,0,0,0,0|0,0,1]=3 213 B12R1.267 CCCNCC1=CC=CC=C1C 4088341 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.267 CCCNCC1=CC=CC=C1C 9070943 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.267 CCCNCC1=CC=CC=C1Cl 4024925 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.267 CCCNCC1=CC=CC=C1Cl 4089657 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.267 CCCNCC1=CC=CC=C1F 4090232 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.267 CCCNCC1=CC=CC=C1F 9070416 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.267 COCCOC1=C(N)C=CC=C1 4003843 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.267 COCCOC1=C(N)C=CC=C1 4087799 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.267 NCCOCC1=CC=CC=C1Cl 6918179 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4004511 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 4090043 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 4030944 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.1631 CC1=C(OCCN)C(Cl)=CC=C1 9071832 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.1631 CC1=CC=CC(C)=C1OCCN 4030893 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.1631 CCCOC1=C(N)C=CC=C1Cl 4027047 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.28 CC1=CC=CC(CSCCO)=C1 9070921 [0,2,0,0,0,0|0,1,0]=3 230 B12R1.28 CCCCOC1=CC=CC(N)=C1 4023583 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.28 CCCNCC1=CC=CC(Br)=C1 4090151 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.28 CCCNCC1=CC=CC(Br)=C1 9071661 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 4091039 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 9071258 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.28 CNCCOC1=CC=CC(Br)=C1 7719929 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.28 CNCCOC1=CC=CC(Cl)=C1 9071604 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.28 COCCOC1=CC(N)=CC=C1 4003842 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 4033479 [0,2,0,0,0,0|1,1,0]=4 239 B12R1.28 OCCSCC1=CC(F)=CC=C1 9071407 [0,2,0,0,0,0|0,1,0]=3 240 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4023581 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,2,0,0,0,0|0,0,1]=3 242 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 4014683 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4013689 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4089232 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,2,0,0,0,0|0,0,2]=4 246 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,2,0,0,0,0|0,0,1]=3 247 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,2,0,0,0,0|0,0,1]=3 248 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,2,0,0,0,0|0,0,1]=3 249 B12R1.382 C#CCOC1=CC=CC(C=O)=C1 4015104 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.382 C=CCOC1=CC(CO)=CC=C1 9071268 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.382 CCCOC1=CC(C=O)=CC=C1 3005062 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.382 CCCOC1=CC(CN)=CC=C1 4027733 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.382 CCCOC1=CC(CN)=CC=C1 4090700 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.382 CCCOC1=CC(CO)=CC=C1 9071828 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.382 COC1=CC(CCCN)=CC=C1 4101633 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.8 CCCNCCC1=CC=CC=C1 6382736 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.8 CCNCCCC1=CC=CC=C1 4024844 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.8 CCNCCOC1=CC=CC=C1 4088022 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.8 CCNCCOC1=CC=CC=C1 9070430 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.8 CCNC\C=C\C1=CC=CC=C1 4090896 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.8 CCNC\C=C\C1=CC=CC=C1 9070638 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.8 CNCCCOC1=CC=CC=C1 9071185 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.8 CNCCCSC1=CC=CC=C1 4089624 [0,2,0,0,0,0|1,1,0]=4 266 B12R1.8 CNCCCSC1=CC=CC=C1 9070836 [0,2,0,0,0,0|1,1,0]=4 267 B12R1.8 COCCNCC1=CC=CN=C1 4089315 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.8 COCCNCC1=CC=CN=C1 9071847 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.8 COCCNCC1=CC=NC=C1 4090664 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.8 COCCNCC1=CC=NC=C1 9071014 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.8 COCCNCC1=NC=CC=C1 4090709 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.8 COCCNCC1=NC=CC=C1 9070784 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.8 OCCCNCC1=CC=CC=C1 5116282 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.8 OCCCNCC1=CC=CN=C1 9071926 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.8 OCCCNCC1=CC=NC=C1 9071313 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.8 OCCSCCC1=CC=CC=N1 9070504 [0,2,0,0,0,0|1,1,0]=4 277 B12R1.8 OCCSCCC1=CC=NC=C1 5104065 [0,2,0,0,0,0|1,1,0]=4 278 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,2,0,0,0,0|0,0,1]=3 285 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 4040454 [0,2,0,0,0,0|2,0,0]=4 288 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.24 NC1COC2=CC=CC=C2C1 4018509 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [0,1,0,1,0,0|0,0,0]=2 291 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,1,0,1,0,0|2,0,0]=4 292 B12R2.1081 OC1=C2OCCOC2=CC=C1 4001963 [0,1,0,1,0,0|0,0,0]=2 293 B12R2.1081 OC1CNCC2=CC=CC=C21 4020540 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.32 NCC1=NC2=CC=CC=C2O1 4101049 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [0,1,0,1,0,0|0,0,0]=2 297 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4040319 [0,1,0,1,0,0|1,0,0]=3 298 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.8 NCCC1=CC=CO1 4100671 [1,0,0,0,1,0|2,0,0]=4 300 B8R1.8 NCCN1C=CC=C1 4028584 [1,0,0,0,1,0|2,0,0]=4 301 B8R1.8 OCCC1=CNN=C1 4000128 [1,0,0,0,1,0|2,0,0]=4 302 B8R1.8 OCCC1=CON=C1 4009737 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.8 OCCN1C=CC=N1 4027736 [1,0,0,0,1,0|2,0,0]=4