0 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,0,0|0,0,1]=2 7 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,0,0,0,0,0|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|2,0,1]=4 12 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [0,0,0,1,0,0|1,0,1]=3 13 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [0,0,0,1,0,0|2,0,1]=4 14 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.1 CN1C=CC2=C1C=NC=C2 SPC-u713 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,0|1,0,1]=3 19 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,0|1,0,1]=3 20 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,0|1,0,1]=3 21 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [0,0,0,1,0,0|0,0,2]=3 22 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.13 CC(C)C1=NC=C(N)C=C1 SPC-p736 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 SPC-k101 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.28 CC(C)(O)C1=CC=CC=C1 SPC-g210 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.61 CC(C)C1=CC=CN=C1N SPC-s895 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 SPC-n990 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.10 NNCC1=CC=CC(Cl)=C1 SPC-j052 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 NNCC1=CC=CC(F)=C1 SPC-g946 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 SPC-u508 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 SPC-s023 [0,1,0,0,0,1|1,0,1]=4 58 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 SPC-j570 [0,2,0,0,0,0|2,0,0]=4 59 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.18 CN1N=C2C=CC=CC2=C1Br SPC-t616 [0,0,0,1,0,1|2,0,0]=4 61 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,0,0,1,0,1|0,0,2]=4 62 B12R2.2058 C1=CC=C(NC2COC2)C=C1 SPC-a294 [0,0,0,1,0,1|0,0,2]=4 63 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 SPC-h847 [0,0,0,1,0,1|1,0,1]=4 64 B12R2.116 CC1(C2=CC=CC=C2)COC1 SPC-a281 [0,1,0,1,0,0|0,0,2]=4 65 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-a131 [0,1,0,1,0,0|0,0,2]=4 66 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-u870 [0,1,0,1,0,0|0,0,2]=4 67 B12R2.116 OC1(C2=CC=CC=C2)CNC1 SPC-i011 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.116 OC1(C2=CC=CC=C2)COC1 SPC-a052 [0,1,0,1,0,0|0,0,2]=4 69 B12R2.116 OC1(C2=CC=CC=C2)CSC1 SPC-a108 [0,1,0,1,0,0|0,1,1]=4 70 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 SPC-n925 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [0,1,0,1,0,0|1,0,1]=4 75 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [0,1,0,1,0,0|1,0,1]=4 76 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,1,0,1,0,0|1,0,1]=4 77 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,1,0,1,0,0|1,0,1]=4 78 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,1,0,1,0,0|0,0,0]=2 79 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [0,1,0,1,0,0|1,0,1]=4 81 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [0,1,0,1,0,0|1,0,1]=4 82 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 SPC-p643 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 SPC-a275 [0,1,0,1,0,0|0,0,2]=4 85 B12R2.2302 FC1=CC=C(C2COC2)C=C1 SPC-a274 [0,1,0,1,0,0|0,0,2]=4 86 B12R2.2302 NC1=CC=C(C2COC2)C=C1 SPC-a276 [0,1,0,1,0,0|0,0,2]=4 87 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 SPC-h044 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 SPC-m711 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 SPC-p763 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SPC-t438 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 SPC-a277 [0,1,0,1,0,0|0,0,2]=4 92 B12R2.2313 OC1=CC=CC(C2COC2)=C1 SPC-w003 [0,1,0,1,0,0|0,0,2]=4 93 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 SPC-p401 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.517 OC1=C(C2COC2)C=CC=C1 SPC-a278 [0,1,0,1,0,0|0,0,2]=4 95 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [1,0,0,0,1,0|1,0,1]=4