0 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.8 CCCCCOc1ccccc1 T25936 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [1,0,0,0,0,0|0,0,2]=3 5 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [1,0,0,0,0,0|0,0,2]=3 6 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.32 CCNC(=O)/C=C/c1cccc(Br)c1 T0413 [0,1,0,0,0,0|1,0,2]=4 8 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 T27585 [0,1,0,0,0,0|1,0,2]=4 9 B14R1.156 O=C(OCCO)NCC1=CC=CC=C1 T8588 [0,1,0,0,0,0|1,0,0]=2 10 B14R1.502 CCOC(=O)/C=C/c1ccc(O)cc1 T13808 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,0,0,0,1,0|0,0,0]=1 13 B14R1.520 CCOC(C)OCCc1ccccc1 T2S0604 [0,0,0,0,0,1|1,0,1]=3 14 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,0,0,0,0,1|2,0,0]=3 15 B11R1.28 OCCCCc1ccccc1 T20370 [2,0,0,0,0,0|1,0,1]=4 16 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [2,0,0,0,0,0|0,0,2]=4 17 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [2,0,0,0,0,0|0,0,2]=4 18 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [2,0,0,0,0,0|0,0,0]=2 19 B11R1.91 CC(=O)COc1ccccc1 T25944 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.91 CC(=O)NCc1ccccc1 T5924 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.91 CC(=O)OCc1ccccc1 T5615 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.91 NC(=O)NCc1ccccc1 T21213 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [2,0,0,0,0,0|0,0,2]=4 24 B11R1.91 OC(=O)CCc1ccccc1 T3731 [2,0,0,0,0,0|0,0,0]=2 25 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [2,0,0,0,0,0|0,0,2]=4 26 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [1,1,0,0,0,0|0,0,2]=4 28 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [1,1,0,0,0,0|0,0,2]=4 29 B13R1.351 CC(O)C(=O)OCc1ccccc1 T20440 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.417 CCN(CC)CCc1ccccc1 T33556 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 Fr12415 [0,1,0,0,1,0|0,0,0]=2 32 B13R1.20 CCOC(=O)Nc1cccc(O)c1 T21203 [0,1,0,0,1,0|1,0,0]=3 33 B13R1.47 CCOC(=O)C(=O)c1ccccc1 T20351 [0,1,0,0,1,0|0,0,1]=3 34 B13R1.47 CCOC(=O)C(O)c1ccccc1 T20321 [0,1,0,0,1,0|0,0,0]=2 35 B13R1.348 CC(C)OC(=O)Nc1ccccc1 T34151 [0,1,0,0,1,0|1,0,0]=3 36 B15R1.809 CCOC(=O)/C=C(\C)Nc1ccccc1 T20352 [0,1,0,0,0,1|0,0,2]=4 37 B15R1.10390 CCOC(=O)/C=C/c1ccc(O)c(O)c1 T3S0013 [0,2,0,0,0,0|0,0,2]=4 38 B15R1.10390 CCOC(=O)/C=C/c1ccc(O)c(O)c1 T5681 [0,2,0,0,0,0|0,0,2]=4 39 B15R1.48 CCOC(=O)C(O)Cc1ccc(O)cc1 TN4021 [0,2,0,0,0,0|0,0,0]=2 40 B15R1.3960 CCOC(=O)C(=C)Cc1ccccc1Cl T4217 [0,2,0,0,0,0|0,0,1]=3 41 B15R1.78 CCCCOC(=O)/C=C/c1ccccc1 T20325 [0,2,0,0,0,0|0,0,2]=4 42 B15R1.791 CCSC(=O)COc1ccc(Cl)cc1C T20948 [0,2,0,0,0,0|1,1,0]=4 43 B15R1.793 CCOC(=O)/C=C/c1ccc(OC)cc1 T2S1625 [0,2,0,0,0,0|0,0,2]=4 44 B15R1.793 CCOC(=O)C=Cc1ccc(OC)cc1 TN6816 [0,2,0,0,0,0|0,0,2]=4 45 B15R1.793 CCOC(=O)CCc1ccc(OC)cc1 TN4019 [0,2,0,0,0,0|0,0,0]=2 46 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,0,0,1,1,0|2,0,0]=4 47 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,0,0,0,2,0|1,0,0]=3 48 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,0,0,0,2,0|0,0,0]=2 49 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,0,0,0,2,0|2,0,0]=4