0 B7R1.1 BrCC1=NC=CS1 4044498 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 CCC1=NNC=C1 4042936 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 ClCC1=CN=CS1 4901510 [0,0,0,0,0,0|2,1,1]=4 3 B7R1.1 ClCC1=CNC=N1 4014209 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 ClCC1=CSC=N1 4034757 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 ClCC1=NC=CS1 4016914 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 N#CC1=CN=CS1 4045875 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 NCC1=CC=NN1 2102294 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 NCC1=CC=NO1 2102257 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.1 NCC1=CSC=C1 4089439 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 NCC1=CSC=C1 4100798 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 NCC1=CSC=N1 2102330 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 NCC1=NC=CN1 4087964 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 NCC1=NC=CN1 4101394 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 NCC1=NC=CS1 2102321 [0,0,0,0,0,0|2,1,1]=4 15 B6R1.2 BrC1=CSC=N1 4108309 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 BrC1=NC=CO1 4039122 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 NC1=NN=CO1 4044829 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 NC1=NOC=C1 4034713 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 O=C1NC=CN1 4029600 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 OC1=NN=CO1 4044051 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 C=CN1C=C(I)C=N1 4028702 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=CC(C=O)=NN1 4002200 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.1 CC1=CC=C(C#N)N1 4043367 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.1 CC1=CC=C(C=O)N1 4036670 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.1 CC1=CC=C(CN)S1 4100660 [0,1,0,0,0,0|1,1,1]=4 26 B8R1.1 CC1=CNC(C=O)=N1 4301882 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.1 CC1=NOC(C#N)=C1 4040669 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=NOC(C=O)=C1 4034847 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.1 CC1=NOC(CCl)=C1 4003178 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 CC1=NOC(CN)=C1 4100870 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.1 CC1=NOC(CO)=C1 4003172 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.1 CN1C=CC(C=O)=C1 4300823 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.1 N#CC1=CC(Br)=CN1 4045366 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.1 NCC1=CC=C(Br)S1 4089738 [0,1,0,0,0,0|1,1,1]=4 35 B8R1.1 NCC1=CC=C(Br)S1 4191314 [0,1,0,0,0,0|1,1,1]=4 36 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.7 CC(=O)C1=NC=CN1 4040695 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.7 CC(=O)C1=NC=NN1 4040504 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,1,0,0,0,0|1,1,1]=4 40 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.7 N=C(N)C1=CNC=N1 4058485 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.7 O=C(O)C1=CC=NS1 4031031 [0,1,0,0,0,0|1,1,0]=3 43 B8R1.7 O=C(O)C1=CN=NN1 4401560 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.7 O=C(O)C1=CSC=N1 2402329 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=CSN=C1 4402356 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.7 O=C(O)C1=NNC=C1 3001705 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)C1=NOC=C1 2402252 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1=NON=C1 4401609 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.8 CNCC1=CC=CO1 2102243 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.8 CNCC1=CC=CS1 4100657 [0,1,0,0,0,0|1,1,1]=4 51 B8R1.8 NCCC1=CC=CO1 4100671 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.8 NNCC1=CC=CS1 4044222 [0,1,0,0,0,0|1,1,1]=4 53 B8R1.11 CC1=C(C=O)SC=N1 3001799 [0,1,0,0,0,0|1,1,0]=3 54 B8R1.11 CC1=C(CN)SC=C1 4004093 [0,1,0,0,0,0|1,1,1]=4 55 B8R1.11 O=CC1=CSC=C1Br 4300332 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,0,0,0,0,1|2,0,1]=4 57 B8R1.2 ClCC1=NC=CC=N1 4009659 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.2 N#CC1=CC=CN=N1 4036463 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.2 NNC1=CC=CN=C1 4019584 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.2 NNC1=CC=NC=C1 4100548 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.2 NNC1=NC=CC=N1 4088465 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.2 NNC1=NC=CC=N1 4100952 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.2 O=CC1=COCCO1 4016981 [0,0,0,0,0,1|0,0,2]=3 64 B5R1.1 C1=CSN=C1 4036435 [2,0,0,0,0,0|1,1,0]=4 65 B7R1.2 NC1=CC(O)=NO1 4085320 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.4 CN1C=CNC1=O 4044124 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [0,1,0,0,0,1|1,0,0]=3 68 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [0,1,0,0,0,1|2,0,0]=4 69 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [0,1,0,0,0,1|1,0,1]=4 70 B9R1.1 NC1=NC=C(C=O)C=N1 4006165 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [0,1,0,0,0,1|1,0,0]=3 73 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [0,1,0,0,0,1|1,0,0]=3 74 B9R1.6 N=C(N)C1=NC=CC=N1 4043543 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,1,0,0,0,1|1,1,0]=4 76 B9R1.6 O=C(O)C1=CCCOC1 4019307 [0,1,0,0,0,1|0,0,2]=4 77 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [0,1,0,0,0,1|1,0,0]=3 78 B9R1.7 CC1=CC=C(CCN)O1 4004579 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.7 CNCC1=CC=C(C)O1 4004552 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.21 CCC1=NNC(C=O)=C1 4041328 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.21 CCC1=NOC(C=O)=C1 4035019 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.21 CCN1C=NC(C=O)=C1 4110424 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.21 N#CC1=CC(C=O)=CN1 4045511 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.21 O=CC1=CC(CCl)=CS1 4035342 [0,2,0,0,0,0|0,1,0]=3 86 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,2,0,0,0,0|0,1,0]=3 88 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.35 CC1=NN=C(C(=O)[O-])O1 4401406 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,2,0,0,0,0|1,0,0]=3 97 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,2,0,0,0,0|0,1,0]=3 99 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,2,0,0,0,0|0,0,0]=2 100 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,2,0,0,0,0|0,1,0]=3 101 B9R1.35 NC(=O)C1=NNC(N)=C1 4036122 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,2,0,0,0,0|1,0,0]=3 104 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [0,2,0,0,0,0|1,0,0]=3 107 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,2,0,0,0,0|0,1,0]=3 108 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,2,0,0,0,0|0,0,0]=2 109 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,2,0,0,0,0|0,1,0]=3 110 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.132 CC1=CC=C(C=O)N1C 4029722 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.132 CC1=NC=C(C=O)N1C 4004294 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.132 CC1=NNC(C=O)=C1Br 4040849 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.132 CC1=NNC(C=O)=C1Cl 4041306 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.11 COC(=O)C1=NNC=C1 4027720 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.11 NNC(=O)C1=CC=NN1 4036018 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.11 NNC(=O)C1=CN=CO1 4043165 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [0,2,0,0,0,0|0,0,1]=3 121 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [0,2,0,0,0,0|1,1,0]=4 122 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [0,2,0,0,0,0|1,1,0]=4 128 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.41 NC(=O)C1=C(N)C=NN1 4034474 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.41 NC1=CSN=C1C(=O)O 4108475 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.41 O=C(O)C1=C(Br)C=NN1 4029787 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.41 O=C(O)C1=NNC=C1Cl 4029915 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.12 NCCCC1=CC=CO1 4028902 [0,2,0,0,0,0|1,0,1]=4 134 B9R1.12 O=C=NCC1=CC=CS1 4012287 [0,2,0,0,0,0|0,1,1]=4 135 B9R1.12 O=CCCN1C=CC=N1 4010920 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,2,0,0,0,0|0,1,0]=3 137 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.13 O=C(O)CC1=CC=NN1 4004807 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.13 O=C(O)CN1C=CC=N1 2402291 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.14 C(=O)C1=CN=CN1CC 4013830 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.14 CCN1C=CN=C1C=O 4004954 [0,2,0,0,0,0|2,0,0]=4