0 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SPC-m936 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,1,0,0,0,0|1,0,2]=4 9 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,1,0,0|2,0,0]=3 10 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,1,0,0|2,0,0]=3 12 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.20 C1=CC2=C(C=N1)CCCN2 SPC-u169 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.2 OCC1=CN=CN=C1 SPC-g744 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.2 OCC1=CN=NC=C1 SPC-j088 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.2 OCC1=NC=CC=N1 SPC-g700 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.2 OCC1=NC=CN=C1 SPC-g622 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.2 OCC1=NC=NC=C1 SPC-g987 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.2 OCC1=NN=CC=C1 SPC-g951 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CCOC1=CN=C(Br)N=C1 SPC-m963 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.1 CCOC1=CN=C(Cl)N=C1 SPC-k824 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.1 FC1=CC=C(CCBr)C=C1 SPC-g391 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.1 NCCC1=NC=C(Br)C=C1 SPC-m937 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.1 NNCC1=CC=C(Br)C=C1 SPC-j051 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.1 NNCC1=CC=C(Cl)C=C1 SPC-m836 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.1 NNCC1=CC=C(F)C=C1 SPC-j049 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 OCCC1=NC=C(Br)C=C1 SPC-p087 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.4 NCCC1=C(Br)C=CC=N1 SPC-k820 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 OCCC1=C(F)C=CC=N1 SPC-p080 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.10 NCCC1=CC=CC(Cl)=C1 SPC-j893 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.10 NNCC1=CC=CC(Cl)=C1 SPC-j052 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 NNCC1=CC=CC(F)=C1 SPC-g946 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,1,0,0,0,0|0,0,0]=2 42 B10R2.7 C1=CC2=C(C=C1)CNC2 SPC-t877 [1,0,0,1,0,0|2,0,0]=4 43 B10R2.7 C1=CN=C2NCCC2=C1 SPC-g235 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 SPC-m130 [0,1,0,1,0,0|2,0,0]=4 45 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 SPC-t955 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [0,1,0,1,0,0|1,0,0]=3 47 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [0,1,0,1,0,0|1,0,0]=3 48 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [0,1,0,1,0,0|1,0,0]=3 49 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 SPC-n746 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,1,0,1,0,0|1,0,0]=3 52 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.22 NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,1,0,1,0,0|1,0,0]=3 59 B12R2.1081 BrC1=C2CCCNC2=CC=C1 SPC-m131 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.1081 NC1=CC=CC2=C1OCCO2 SPC-m593 [0,1,0,1,0,0|0,0,0]=2 61 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,1,0,1,0,0|0,0,2]=4 63 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 SPC-q591 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,1,0,1,0,0|0,0,2]=4 66 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [0,1,0,1,0,0|0,0,2]=4 67 B12R2.1 OCC1=C2C=CC=CC2=NN1 SPC-h764 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.2058 C1=CC=C(NC2COC2)C=C1 SPC-a294 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 SPC-h847 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SPC-k227 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SPC-j846 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.8 NCCC1=CSC=C1 SPC-m942 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 OCCC1=CN=CN1 SPC-j620 [1,0,0,0,1,0|2,0,0]=4