0 B9R1.8 CNCC1=CN=CN=C1 SPC-q180 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 CC(C)OC1=NC=C(N)C=C1 SPC-v002 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 SPC-t107 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.36 O[C@H](C1=CC=NC=C1)C(F)F SPC-d084 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,1,0,0,0,0|2,0,1]=4 14 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,0|0,0,0]=1 15 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,0|0,0,0]=1 16 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,0|0,0,0]=1 17 B11R2.10 CC1=CC2=C(C=CN=C2)N1 SPC-q573 [0,0,0,1,0,0|1,0,2]=4 18 B11R2.10 CC1=CC2=C(C=NC=C2)N1 SPC-s244 [0,0,0,1,0,0|1,0,2]=4 19 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [0,0,0,1,0,0|1,0,2]=4 20 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [0,0,0,1,0,0|0,0,0]=1 21 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [0,0,0,1,0,0|0,0,0]=1 22 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,0,1|1,0,1]=3 29 B8R1.2 NCC1=CC=CN=N1 SPC-j018 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 NCC1=CC=CN=N1 SPC-q241 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 NCC1=CN=CN=C1 SPC-m828 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 NCC1=CN=NC=C1 SPC-j016 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 NCC1=NC=CC=N1 SPC-g482 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 NCC1=NC=CN=C1 SPC-j017 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 NCC1=NC=NC=C1 SPC-j019 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 NCC1=NC=NC=C1 SPC-j020 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.1 NCCC1=NC=C(Br)C=C1 SPC-m937 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.4 NCCC1=C(Br)C=CC=N1 SPC-k820 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.4 OCCC1=C(F)C=CC=N1 SPC-p080 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.10 NNCC1=CC=CC(Cl)=C1 SPC-j052 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.10 NNCC1=CC=CC(F)=C1 SPC-g946 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.15 CC[C@H](N)C1=NC=CN=C1 SPC-n915 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [0,1,0,0,1,0|1,0,0]=3 62 B10R1.28 CC(C)(O)C1=CC=CC=C1 SPC-g210 [0,1,0,0,1,0|1,0,0]=3 63 B10R1.61 CC(C)C1=CC=CN=C1N SPC-s895 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.20 O[C@H](C1=CC=C(Br)C=C1)C(F)F SPC-d082 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.20 O[C@H](C1=CC=C(Cl)C=C1)C(F)F SPC-d079 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.225 O[C@H](C1=CC=CC(Br)=C1)C(F)F SPC-d081 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 SPC-s023 [0,2,0,0,0,0|1,0,0]=3 69 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|1,0,0]=3 70 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|1,0,1]=4 71 B10R2.7 C1=CC2=C(C=N1)CNC2 SPC-h407 [1,0,0,1,0,0|2,0,0]=4 72 B10R2.7 C1=CN=C2CNCC2=C1 SPC-n234 [1,0,0,1,0,0|2,0,0]=4 73 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [1,0,0,1,0,0|1,0,0]=3 74 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,0,0,1,0,1|0,0,0]=2 75 B12R2.22 NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,0,0,1,0,1|0,0,0]=2 76 B12R2.22 NC1CN(C2=CN=CN=C2)C1 SPC-s741 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.22 NC1CN(C2=NC=CC=N2)C1 SPC-t498 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.22 NC1CN(C2=NC=NC=C2)C1 SPC-u759 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,0,0,1,0,1|0,0,0]=2 80 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,1,0,1|1,0,1]=4 81 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,0,0,1,0,1|1,0,0]=3 82 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [0,0,0,1,0,1|1,0,0]=3 83 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [0,0,0,1,0,1|1,0,0]=3 84 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [0,0,0,1,0,1|1,0,0]=3 85 B12R2.2403 CC1(C)CNC2=NC=CC=C21 SPC-p297 [0,0,0,1,0,1|2,0,0]=4 86 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 SPC-n925 [0,0,0,1,0,1|1,0,0]=3 87 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 SPC-k545 [0,1,0,1,0,0|0,0,2]=4 88 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 SPC-p235 [0,1,0,1,0,0|0,0,2]=4 89 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [0,1,0,1,0,0|1,0,1]=4 90 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SPC-h316 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SPC-g276 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SPC-k227 [0,1,0,1,0,0|1,0,0]=3 95 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SPC-j846 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,1,0,1,0,0|0,0,0]=2 98 B12R2.2058 C1=CC=C(NC2COC2)C=C1 SPC-a294 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 SPC-h847 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 SPC-k529 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 SPC-n271 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 SPC-s335 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 SPC-p502 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.8 NCCC1=CSC=C1 SPC-m942 [1,0,0,0,1,0|1,0,0]=3