0 B12R1.1 CC1=CC=C(OCCCN)C=C1 19188 [0,0,1,0,0,0|3,0,0]=4 1 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [0,0,1,0,0,0|2,0,0]=3 2 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [0,0,1,0,0,0|2,0,0]=3 4 B12R1.1 CCCCOC1=NC=C(Br)C=C1 22137 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.1 FC1=CC=C(OCCCCl)C=C1 13184 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 19179 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.1 NCCCOC1=CC=C(F)C=C1 19164 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,0,1,0,0,0|3,0,0]=4 10 B14R2.72 BrC1=CC=C(CC2CCNC2)C=C1 16319 [0,0,0,0,0,1|3,0,0]=4 11 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [1,0,1,0,0,0|0,0,2]=4 12 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,0,1,0,0,0|2,0,0]=4 13 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,0,1,0,0,0|2,0,0]=4 14 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,0,1,0,0,0|1,0,0]=3 15 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [1,0,1,0,0,0|2,0,0]=4 16 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.1 CCCOC1=NC=C(Br)C=C1 22059 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.1 COCCc1ccc(O)cc1 27303 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.1 COCOC1=NC=C(Br)C=C1 20344 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [1,0,1,0,0,0|1,0,0]=3 25 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,0,1,0,0,0|1,0,0]=3 32 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [1,0,1,0,0,0|0,0,0]=2 35 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.20 NC1=CC=C(OC(F)F)C=C1 8467 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [1,0,1,0,0,0|2,0,0]=4 42 B13R1.9 CCCCCOC1=CC=C(O)C=C1 13207 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,1,1,0,0,0|0,0,1]=3 44 B13R1.371 CCCCOC1=CC=C(C#N)C=C1 7926 [0,1,1,0,0,0|1,0,1]=4 45 B13R1.513 CN(C)CCOC1=CN=C(N)C=C1 34461 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,1,1,0,0,0|1,0,1]=4 47 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 23430 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.520 O=C(C1=CC=C(Cl)C=C1)C2CC2 16774 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.521 NC1=NC=C(OC2CC2)C=C1Br 34613 [0,1,0,0,1,0|1,0,0]=3 50 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 22245 [0,1,0,0,1,0|2,0,0]=4 51 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 7548 [0,1,0,0,0,1|1,0,1]=4 52 B13R2.162 CN1CCCC2=CC=C(N)C=C21 24593 [0,0,1,1,0,0|2,0,0]=4 53 B13R2.527 BrC1=CC=C(OCC2CO2)C=C1 35866 [0,0,1,1,0,0|1,0,0]=3 54 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,0,1,0,1,0|2,0,0]=4 55 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [1,0,0,0,1,0|0,1,0]=3 57 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [0,0,0,0,2,0|2,0,0]=4 58 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,0,0,0,2,0|1,0,0]=3 59 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,0,0,0,2,0|1,0,0]=3 60 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [0,0,0,0,2,0|2,0,0]=4 61 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,0,0,0,2,0|1,0,0]=3 62 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,0,0,0,2,0|1,0,0]=3 63 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,0,0,0,2,0|0,0,0]=2 64 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,0,0,0,2,0|1,0,0]=3 65 B15R2.29 BrC1=CN=C(OC2CCOCC2)C=C1 22061 [0,0,0,0,0,2|2,0,0]=4 66 B15R2.29 CC1=CC=C(OC2CCNCC2)C=C1 8002 [0,0,0,0,0,2|2,0,0]=4 67 B15R2.29 NC1=CC=C(OC2CCCCC2)C=C1 22973 [0,0,0,0,0,2|1,0,0]=3