0 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 SY033240 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.337 CC(=O)OCCCC1=CC=NC=C1 SY263052 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SY048274 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 SY110459 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.148 O=C(O)CC\C=C\C1=CC=CC(Br)=C1 SY272635 [0,1,0,0,0,0|2,0,0]=3 5 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SY023883 [0,1,0,0,0,0|2,0,1]=4 6 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 SY251284 [0,1,0,0,0,0|1,0,2]=4 7 B14R1.716 O=C(CBr)CCOCC1=CC=CC=C1 SY265577 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 SY269712 [0,0,0,1,0,0|2,0,1]=4 9 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 SY059874 [0,0,0,1,0,0|1,0,1]=3 10 B14R2.2 CC(=O)OC1=CNC2=NC=CC=C12 SY253155 [0,0,0,1,0,0|2,0,1]=4 11 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SY253154 [0,0,0,1,0,0|1,0,1]=3 12 B14R2.2 CC(=O)OC1=CSC2=CC=CC=C12 SY253153 [0,0,0,1,0,0|1,0,1]=3 13 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 SY017304 [0,0,0,1,0,0|1,0,2]=4 14 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 SY050497 [0,0,0,1,0,0|3,0,0]=4 15 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SY001207 [0,0,0,1,0,0|2,0,1]=4 16 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SY010607 [0,0,0,1,0,0|1,0,2]=4 17 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SY007401 [0,0,0,1,0,0|1,0,2]=4 18 B14R2.21 CC1=NC(C2=CC=CC=C2)=CC=C1 SY017680 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 SY035301 [0,0,0,1,0,0|1,0,2]=4 20 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 SY023884 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CC=C2 SY013630 [0,0,0,1,0,0|1,0,1]=3 22 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 SY047277 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 SY031982 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CC=C2 SY005963 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.31359 O=C(O)C1=NC=CC2=C1C=CC=C2 SY018979 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [0,0,0,0,1,0|1,0,1]=3 27 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [0,0,0,0,1,0|1,0,2]=4 28 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [0,0,0,0,1,0|2,0,1]=4 31 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 SY083558 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [0,0,0,0,1,0|1,0,2]=4 34 B14R1.422 CC(=O)OCCCCC1=NC=CC=C1 SY271773 [0,0,0,0,0,1|1,0,2]=4 35 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [2,0,0,0,0,0|0,0,2]=4 36 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SY005492 [1,1,0,0,0,0|0,0,2]=4 37 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 SY272145 [0,1,0,0,1,0|1,0,0]=3 38 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SY011505 [0,1,0,0,1,0|1,0,1]=4 39 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 SY129393 [0,1,0,0,1,0|1,0,0]=3 40 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 SY103177 [0,1,0,0,1,0|1,0,1]=4 41 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SY022040 [0,2,0,0,0,0|1,0,1]=4 42 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 SY011674 [0,2,0,0,0,0|2,0,0]=4 43 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SY048999 [1,0,0,1,0,0|1,0,1]=4 44 B13R2.1613 O=CC1=NC=CC2=C1C=CC=C2 SY025670 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 SY045886 [0,0,0,1,1,0|2,0,0]=4 46 B13R2.10 CC1=NC=C(C2=CC=CC=C2)O1 SY242503 [0,0,0,1,1,0|1,0,1]=4 47 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 SY270923 [0,0,0,1,1,0|2,0,0]=4 48 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [0,0,0,1,1,0|1,0,1]=4 49 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [0,0,0,1,1,0|1,0,1]=4 50 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [0,0,0,1,1,0|1,0,1]=4 51 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [0,0,0,1,1,0|1,0,1]=4 52 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 SY042515 [0,0,0,1,1,0|1,0,1]=4 53 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 SY003989 [0,0,0,1,1,0|1,0,1]=4 54 B13R2.163 O=C1CC2=CC=CC=C2C=CN1 SY018989 [0,0,0,1,1,0|1,0,0]=3 55 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 SY015400 [0,0,0,1,0,1|2,0,0]=4 56 B15R2.68122 O=C(Cl)OC1=C2C=CC=CC2=CC=C1 SY296662 [0,0,0,1,0,1|1,0,1]=4 57 B15R2.1668 CC(=O)NC1=CC=C2C=CC=CC2=C1 SY292704 [0,1,0,1,0,0|1,0,1]=4 58 B15R2.1668 O=C(Cl)OC1=CC=C2C=CC=CC2=C1 SY052421 [0,1,0,1,0,0|1,0,1]=4 59 B15R2.14628 CC(=O)C1=C2C=CC=CC2=C(Br)C=C1 SY111546 [0,1,0,1,0,0|1,0,1]=4 60 B15R2.14628 CC(=O)N1CCC(=O)C2=C1C=CC=C2 SY143573 [0,1,0,1,0,0|1,0,1]=4 61 B15R2.79765 O=C(CO)C1=C2C=CC=CC2=CC=C1 SY130989 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [0,0,0,0,2,0|0,0,2]=4 63 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [0,0,0,0,2,0|0,0,1]=3 64 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [0,0,0,0,2,0|2,0,0]=4 65 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [0,0,0,0,2,0|2,0,0]=4 66 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [0,0,0,0,2,0|1,0,0]=3 67 B11R1.91 O=C(O)C=CC1=CC=NC=C1 SY036404 [0,0,0,0,2,0|2,0,0]=4 68 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [0,0,0,0,2,0|1,0,1]=4 69 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 SY009573 [0,0,0,0,2,0|2,0,0]=4 70 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 SY016110 [0,0,0,0,2,0|2,0,0]=4 71 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 SY020168 [0,0,0,0,2,0|2,0,0]=4