0 B13R1.17 CC1=NC=C(C(=O)NCCN)C=C1 BB52-8934 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 BB31-0860 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 BB31-9652 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 BB31-1395 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.30 NCCNC(=O)C1=CC=NC=C1 BB52-8546 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.30 NCCNC(=O)C1=CN=CC=C1 BB52-9480 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.30 NCCNC(=O)C1=NC=CC=C1 BB52-9593 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.30 O=C(NCCO)C1=CN=CC=C1 BB32-3282 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(Br)CCCl BB32-1933 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 BB32-3517 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 BB31-4304 [0,1,0,0,0,0|2,0,1]=4 12 B14R1.926 COC1=CC=C(C(=O)CCCCl)C=C1 BB31-5918 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.941 CCCCC(=O)C1=CC(Cl)=C(Cl)C=C1 BB31-7037 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.933 O=C(NC1CC1)C2=CN=C(Cl)C=C2 BB32-3484 [0,0,0,1,0,0|3,0,0]=4 15 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 BB32-1939 [0,0,0,1,0,0|2,0,0]=3 16 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 BB31-3390 [0,0,0,1,0,0|2,0,0]=3 17 B14R2.8719 O=C1CCCOC2=C1C=CC(Br)=C2 BB31-2663 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.1 CC1=CC=C(OCCBr)C=C1 BB31-4045 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.1 CCNCC1=CC=C(O)C=C1 BB31-5883 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 BB32-1953 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 BB32-3823 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.22 COC(N)=C1C=CC(=O)C=C1 BB32-3012 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 BB32-1300 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.452 CCCC(O)C1=CC=C(OC)C=C1 BB32-0916 [1,1,0,0,0,0|0,0,2]=4 29 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 BB32-2511 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 BB31-2602 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 BB31-3661 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 BB31-9420 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.452 CCOC(=O)C1=CN=C(CO)C=C1 BB32-2129 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 BB32-2903 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.466 CCOC(=O)C1=CC(Br)=C(O)N=C1 BB32-0858 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)C=N1 BB31-1522 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.466 CCOC(=O)C1=CC=C(Br)C(=O)N1 BB31-2154 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 BB31-3672 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.466 CCOC(=O)C1=CN=C(Br)C(Br)=C1 BB31-0769 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Br)C=C1 BB31-2149 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.1511 COCC(=O)C1=C(O)C=C(O)C=C1 BB32-3002 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.1511 O=C(CCCl)C1=C(F)C=C(Br)C=C1 BB31-5462 [1,1,0,0,0,0|2,0,0]=4 43 B15R1.38 CC1=CC=C(S(=O)(=O)OCCCCl)C=C1 BB31-5785 [0,2,0,0,0,0|2,0,0]=4 44 B15R1.1222 CCCCS(=O)C1=CC=C(B(O)O)C=C1 BB31-2207 [0,2,0,0,0,0|2,0,0]=4 45 B15R1.5924 CCCOC(=O)C1=CC(N)=C(Cl)C(Cl)=C1 BB12-6965 [0,2,0,0,0,0|1,0,0]=3 46 B13R2.520 O=C(C1=CN=C(Cl)C=C1)C2CC2 BB31-6579 [1,0,0,1,0,0|2,0,0]=4 47 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 BB32-0474 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 BB31-9360 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 BB52-6531 [1,0,0,1,0,0|1,0,1]=4 50 B13R2.5179 O=C1CCNC2=C1C=CC(Br)=C2 BB31-0405 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 BB31-4939 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 BB31-3377 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 BB31-7653 [1,0,0,1,0,0|1,0,0]=3 54 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 BB31-4158 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 BB32-3544 [1,0,0,1,0,0|1,0,1]=4 56 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 BB32-1735 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 BB31-9636 [1,0,0,1,0,0|2,0,0]=4 58 B15R2.91 NC1=CC=C(C(=O)N2CCCC2)C=C1 BB52-5473 [0,1,0,1,0,0|2,0,0]=4 59 B15R2.18934 CC1(C)COC(C2=CC=C(Br)C=C2)=N1 BB32-1377 [0,1,0,1,0,0|2,0,0]=4 60 B15R2.7543 O=C(NC1CC1)C2=C(O)C=C(Cl)C=C2 BB31-9402 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.15 CCOC(=O)C1=CNC(C)=C1 BB31-7630 [1,0,0,0,1,0|2,0,0]=4 62 B11R1.15 CCOC(=O)C1=COC(C)=C1 BB31-4433 [1,0,0,0,1,0|2,0,0]=4