0 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [0,0,0,0,0,0|1,0,2]=3 1 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [0,0,0,0,0,0|0,0,2]=2 2 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [0,0,0,0,0,0|1,0,2]=3 3 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.449 O=C=NC1=CC=C2OCCC2=C1 CDS016655 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.449 ON=CC1=CC2=C(C=C1)OCO2 S526185 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.44 C(=O)C1=CC2=C(C=C1)OC=C2 CDS017525 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 CDS017856 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 CDS009176 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.44 OCC1=CC2=C(C=C1)OCC2 CDS016058 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CDS001550 [0,1,0,0,0,0|0,0,3]=4 13 B14R2.966 CNC(=O)C1=CC2=C(C=C1)OCO2 L170704 [0,1,0,0,0,0|1,0,2]=4 14 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 S696773 [0,1,0,0,0,0|1,0,2]=4 15 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 PH015476 [0,1,0,0,0,0|1,0,2]=4 16 B14R2.991 CO/N=C/C1=CC=C2OCOC2=C1 PH009274 [0,1,0,0,0,0|1,0,2]=4 17 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 S55353 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.1008 CC(=S)NC1=CC2=C(C=C1)OCO2 S170100 [0,1,0,0,0,0|1,0,1]=3 19 B14R2.1008 NC(=O)NC1=CC=C2OCOC2=C1 S732141 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.1008 O=C(O)CC1=CC=C2OC=NC2=C1 CDS011125 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.116 OCCC1=CC=C(C=C1)CCO CDS000269 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.278 CCOC1=CC=CC(=C1)CC#N PH009874 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [0,0,1,0,0,0|0,0,2]=3 32 B12R1.288 COC1=CC=C(C=C1Cl)CCN CDS008271 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [0,0,1,0,0,0|2,0,1]=4 34 B14R3.3015 C1=C2CCOC2=CC=C1C3CO3 PH018329 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,0,1,0,0,0|1,0,1]=4 39 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,0,1,0,0,0|2,0,0]=4 48 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [2,0,0,0,0,0|2,0,0]=4 49 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [2,0,0,0,0,0|2,0,0]=4 50 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.386 C=CCC1=NC(=C(C=C1)OC)OC ADE000502 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.386 [C-]#[N+]CC1=CC=C(C(=C1)OC)OC PH015413 [0,1,1,0,0,0|1,0,1]=4 56 B13R1.575 C=CCSC1=NC=C(C(=N1)OC)O R746096 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.35 COC1=CC=C(C=C1F)CC(=N)N PH015019 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.577 C=CCSC1=NC(=C(C=N1)OC)O S215783 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,1,1,0,0,0|1,0,1]=4 61 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [1,1,0,0,0,0|0,0,1]=3 62 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.599 C(=O)C1=C(C=C2OCOC2=C1)C CBR00442 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.599 ClCC1=C(C=C2OCOC2=C1)Cl PH017179 [1,1,0,0,0,0|1,0,0]=3 67 B13R2.599 OCC1=CC2=C(C=C1Cl)OCO2 TMT00662 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.654 O=CC1=CC2=C(OCO2)C(=C1)Br CDS011469 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 PH014738 [0,1,0,0,0,1|0,0,1]=3 70 B15R2.1668 O=C(O)CC1=CC=C2OCCCC2=C1 T319546 [0,1,0,0,0,1|2,0,0]=4 71 B15R2.964 CC1=CC2=C(C=C1CC(=O)O)OCO2 T153354 [0,2,0,0,0,0|1,0,0]=3 72 B15R2.964 NC(=O)CC1=CC2=C(C=C1Br)OCO2 T153702 [0,2,0,0,0,0|1,0,0]=3 73 B15R2.964 O=C(O)CC1=CC2=C(C=C1Br)OCO2 T153699 [0,2,0,0,0,0|1,0,0]=3 74 B15R2.1198 COC(OC)C1=CC=C2OCOC2=C1 S83950 [0,2,0,0,0,0|1,0,1]=4 75 B15R2.1350 CCCC(=O)C1=CC2=C(C=C1)OCO2 CDS001216 [0,2,0,0,0,0|0,0,2]=4 76 B15R2.2123 C(=O)NCCC1=CC=C2OCOC2=C1 S332100 [0,2,0,0,0,0|0,0,1]=3 77 B15R2.4343 O=C(CCl)NC1=CC2=C(C=C1)OCO2 R996505 [0,2,0,0,0,0|1,0,1]=4 78 B15R2.4343 OCC(O)CC1=CC=C2OCOC2=C1 S943258 [0,2,0,0,0,0|0,0,2]=4 79 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 R434167 [0,2,0,0,0,0|0,0,1]=3 80 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 S114162 [0,2,0,0,0,0|0,0,1]=3 81 B15R2.7688 CC(O)CCC1=CC=C2OCOC2=C1 CDS012441 [0,2,0,0,0,0|0,0,2]=4 82 B15R2.7688 NC(=O)CCC1=CC2=C(C=C1)OCO2 T153737 [0,2,0,0,0,0|0,0,1]=3 83 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 R173827 [0,2,0,0,0,0|1,0,1]=4 84 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 S352918 [0,2,0,0,0,0|1,0,1]=4 85 B15R3.4266 C1=NC2=CC3=C(C=C2N1)OCCO3 OTV000641 [0,0,0,1,0,1|2,0,0]=4 86 B15R3.677 CC1=NC2=C(S1)C=C3OCOC3=C2 S77136 [0,1,0,1,0,0|1,0,1]=4 87 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 CDS014411 [1,0,0,0,0,1|1,0,0]=3 88 B13R2.57 NCC1=CC=C2OCCCC2=C1 CBR00854 [1,0,0,0,0,1|2,0,0]=4 89 B13R2.57 NCC1=CC=C2OCCCC2=C1 CDS002275 [1,0,0,0,0,1|2,0,0]=4 90 B13R2.57 NNC1=CC=C2OCCOC2=C1 CBR00939 [1,0,0,0,0,1|2,0,0]=4 91 B13R2.57 O=CC1=CN=C2OCCOC2=C1 ADE000032 [1,0,0,0,0,1|2,0,0]=4 92 B13R2.57 OCC1=CN=C2OCCOC2=C1 ADE000037 [1,0,0,0,0,1|2,0,0]=4 93 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 PH015687 [1,0,0,0,0,1|1,0,1]=4