0 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [1,0,0,0,0,0|2,0,1]=4 1 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [1,0,0,0,0,0|1,0,2]=4 4 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [1,0,0,0,0,0|1,0,1]=3 7 B12R1.382 COC1=CN=CC(=C1)C#CCO ADE000382 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.385 CC1=CC(=CC=C1Cl)OCCO S538655 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.42 C(=C/[N+](=O)[O-])\C1=CC=C(C(=C1)OC)O S594636 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [0,1,0,0,0,0|2,0,0]=3 11 B14R1.793 COC1=C(N=C(C=C1)C#CCO)OC ADE000501 [0,1,0,0,0,0|1,0,2]=4 12 B14R1.793 COC1=C(N=CC(=C1)C#CCO)OC ADE000640 [0,1,0,0,0,0|1,0,2]=4 13 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O PH003466 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.7499 CO/N=C\C1=CC(=C(C(=C1)OC)O)Br L170275 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.991 CO/N=C/C1=CC=C2OCOC2=C1 PH009274 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [2,0,0,0,0,0|0,0,2]=4 17 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.189 COC1=CN=CC(=C1)/C=N/O ADE000506 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [2,0,0,0,0,0|1,0,1]=4 24 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [1,1,0,0,0,0|0,0,0]=2 28 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.386 COC1=C(N=C(C=C1)/C=N/O)OC ADE000525 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.386 COC1=C(N=CC(=C1)/C=N/O)OC ADE000522 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.4030 COC1=C(C(=CC(=C1)/C=N/O)Br)O OTV000217 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.81 COC1=CC=CC(=C1)NC(=O)CCl S520322 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.643 COC1=CC(=CC=C1)/C=N/C(C)C PH000589 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [1,1,0,0,0,0|0,1,1]=4 44 B15R1.4038 COC1=C(C=CC(=C1)/C=C(\C)/[N+](=O)[O-])O R174149 [0,2,0,0,0,0|1,0,1]=4 45 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)N)OC PH004133 [0,2,0,0,0,0|0,0,2]=4 46 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/C(=O)C S594512 [0,2,0,0,0,0|0,0,2]=4 47 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[N+](=O)[O-] S752215 [0,2,0,0,0,0|1,0,1]=4 48 B15R1.815 CCOC(=O)C1=CC=C(C(=C1)OC)OC PH015326 [0,2,0,0,0,0|2,0,0]=4 49 B15R1.815 COC1=C(C=C(C=C1)C(=O)/C=N/O)OC L306614 [0,2,0,0,0,0|1,0,0]=3 50 B15R1.3769 COC1=CC=C(C=C1OC)NC(=O)CCl TMT00586 [0,2,0,0,0,0|2,0,0]=4 51 B15R1.4040 COC1=CC(=CC=C1O)C=C(C#N)C#N S586854 [0,2,0,0,0,0|1,0,1]=4 52 B13R2.121 COC1=C2OC=CC2=CN=C1Br ADE001207 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [1,0,0,1,0,0|1,0,0]=3 54 B13R2.449 CCCC1=CC2=C(C=C1)OCO2 PH011245 [1,0,0,1,0,0|0,0,2]=4 55 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 R427209 [1,0,0,1,0,0|1,0,1]=4 56 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 CDS003975 [1,0,0,1,0,0|1,0,1]=4 57 B13R2.449 ON=CC1=CC2=C(C=C1)OCO2 S526185 [1,0,0,1,0,0|1,0,0]=3 58 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [1,0,0,1,0,0|2,0,0]=4 59 B15R2.7688 CC(C)/N=C/C1=CC2=C(C=C1)OCO2 PH000590 [0,1,0,1,0,0|2,0,0]=4 60 B15R2.7688 CC(O)CCC1=CC=C2OCOC2=C1 CDS012441 [0,1,0,1,0,0|0,0,2]=4 61 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 R173827 [0,1,0,1,0,0|1,0,1]=4 62 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 S352918 [0,1,0,1,0,0|1,0,1]=4 63 B15R2.1350 CCCC(=O)C1=CC2=C(C=C1)OCO2 CDS001216 [0,1,0,1,0,0|1,0,1]=4 64 B15R2.117 COC1=CC2=C(C=C1CO)OCCC2 T248215 [0,1,0,1,0,0|0,0,2]=4 65 B15R2.117 COC1=CC2=C(C=C1OC)CCN=C2 CDS015037 [0,1,0,1,0,0|2,0,0]=4 66 B15R2.117 COC1=CC2=C(C=NC=C2)C=C1OC R152277 [0,1,0,1,0,0|2,0,0]=4 67 B15R2.1888 COC1=C2OC(=CC2=CN=C1Br)CO ADE001364 [0,1,0,1,0,0|2,0,0]=4 68 B15R2.1824 N1C(=O)CCC2=C1C=C(C(=C2)O)OC S116890 [0,1,0,1,0,0|2,0,0]=4 69 B15R2.4343 O=C(CCl)NC1=CC2=C(C=C1)OCO2 R996505 [0,1,0,1,0,0|2,0,0]=4 70 B15R2.4343 OCC(O)CC1=CC=C2OCOC2=C1 S943258 [0,1,0,1,0,0|0,0,2]=4 71 B15R3.4266 C1=CC2=C(C=C1)C=C3OCOC3=C2 S589012 [0,0,0,2,0,0|1,0,1]=4