0 B10R1.15 CC[C@H](N)C1=NC=CN=C1 SPC-n915 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.7 NCC(F)(F)C1=NC=CC=C1 SPC-n008 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.7 OCC(F)(F)C1=NC=CC=C1 SPC-h949 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.36 O[C@H](C1=CC=NC=C1)C(F)F SPC-d084 [0,1,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|0,0,2]=3 17 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [0,0,0,1,0,0|1,0,2]=4 18 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [0,0,0,1,0,0|1,0,2]=4 19 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.1 CC1=NNC2=C1C=NC=C2 SPC-h618 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|1,0,2]=4 22 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [0,0,0,1,0,0|2,0,1]=4 23 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,0|0,0,0]=1 24 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,0|0,0,0]=1 25 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,0|0,0,0]=1 26 B11R2.40 NC1(C2=CC=NC=C2)CC1 SPC-n917 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [0,0,0,1,0,0|1,0,0]=2 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 B10R1.13 CC(C)C1=NC=C(Br)C=N1 SPC-p645 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.28 CC(C)(O)C1=CC=CC=C1 SPC-g210 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.61 CC(C)C1=CC=CN=C1N SPC-s895 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.1 NCCC1=NC=C(Br)C=C1 SPC-m937 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.4 NCCC1=C(Br)C=CC=N1 SPC-k820 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.4 OCCC1=C(F)C=CC=N1 SPC-p080 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.10 NNCC1=CC=CC(Cl)=C1 SPC-j052 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.10 NNCC1=CC=CC(F)=C1 SPC-g946 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 SPC-s023 [0,1,0,0,0,1|1,0,1]=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 B12R1.225 O[C@H](C1=CC=CC(Br)=C1)C(F)F SPC-d081 [0,2,0,0,0,0|2,0,0]=4 67 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|2,0,0]=4 68 B10R2.7 C1=CC2=C(C=C1)NN=C2 SPC-m915 [1,0,0,1,0,0|1,0,1]=4 69 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SPC-k227 [0,0,0,1,0,1|1,0,0]=3 71 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SPC-j846 [0,0,0,1,0,1|1,0,0]=3 72 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [0,0,0,1,0,1|1,0,0]=3 73 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [0,0,0,1,0,1|1,0,0]=3 74 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [0,0,0,1,0,1|1,0,0]=3 75 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,0,0,1,0,1|1,0,0]=3 76 B12R2.2058 C1=CC=C(NC2COC2)C=C1 SPC-a294 [0,0,0,1,0,1|1,0,0]=3 77 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 SPC-h847 [0,0,0,1,0,1|0,0,0]=2 78 B12R2.116 CC1(C2=CC=CC=C2)COC1 SPC-a281 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-a131 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-u870 [0,1,0,1,0,0|1,0,0]=3 81 B12R2.116 NC1(C2=CN=CC=C2)COC1 SPC-n032 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.116 OC1(C2=CC=CC=C2)CNC1 SPC-i011 [0,1,0,1,0,0|0,0,0]=2 83 B12R2.116 OC1(C2=CC=CC=C2)COC1 SPC-a052 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.116 OC1(C2=CC=CC=C2)CSC1 SPC-a108 [0,1,0,1,0,0|1,0,0]=3 85 B12R2.116 OC1(C2=CN=CC=C2)COC1 SPC-a059 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.2403 CC1(C)CNC2=NC=CC=C21 SPC-p297 [0,1,0,1,0,0|1,0,0]=3 87 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 SPC-n925 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 SPC-u398 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [0,1,0,1,0,0|0,0,0]=2 92 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [0,1,0,1,0,0|0,0,0]=2 93 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [0,1,0,1,0,0|0,0,0]=2 94 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,1,0,1,0,0|0,0,0]=2 95 B12R2.22 NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,1,0,1,0,0|0,0,0]=2 97 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [0,1,0,1,0,0|0,0,2]=4 102 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [0,1,0,1,0,0|0,0,2]=4 103 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 SPC-a275 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.2302 FC1=CC=C(C2COC2)C=C1 SPC-a274 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.2302 NC1=CC=C(C2COC2)C=C1 SPC-a276 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SPC-h044 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 SPC-m711 [0,1,0,1,0,0|0,0,2]=4 108 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 SPC-n746 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 SPC-q591 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SPC-t438 [0,1,0,1,0,0|0,0,0]=2 111 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 SPC-a277 [0,1,0,1,0,0|1,0,0]=3 112 B12R2.2313 OC1=CC=CC(C2COC2)=C1 SPC-w003 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [0,1,0,1,0,0|0,0,2]=4 114 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 SPC-h963 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.517 OC1=C(C2COC2)C=CC=C1 SPC-a278 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.7 CC(C)N1C=CC=N1 SPC-s737 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.8 NCCC1=CSC=C1 SPC-m942 [1,0,0,0,1,0|1,0,0]=3