0 B13R1.337 CC(=O)OC/C=C/c1ccccc1 T5653 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.337 CC(=O)OC/C=C/c1ccccc1 TN3659 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.337 OC(=O)/C=C/C=C/c1ccccc1 T3006 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.337 OC(=O)CCCCc1ccccc1 T7458 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.8 CNCC/C=C/c1cccnc1 T12738L [1,0,0,0,0,0|3,0,0]=4 5 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12738 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12739 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T26096 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.8 CNCC\C=C\C1=CN=CC=C1 T23235 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.148 CC(=O)OCCOc1cccc(O)c1 T33982 [0,1,0,0,0,0|1,0,1]=3 10 B14R1.420 OC(=O)CCNC(=O)c1ccccc1 T1430 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.677 OC(=O)/C=C/C=C/c1ccc(O)cc1 T30223 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,1,0|0,0,1]=2 13 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,0,0,0,1,0|1,0,2]=4 14 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,0,0,0,1,0|1,0,2]=4 15 B13R1.42 CCOC(C=Cc1ccccc1)=O TN1624 [1,1,0,0,0,0|0,0,2]=4 16 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T4815 [0,1,0,0,1,0|2,0,0]=4 17 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T8365 [0,1,0,0,1,0|2,0,0]=4 18 B13R1.45 OC(C1=CC=CC=C1)COC(N)=O T26233 [0,1,0,0,1,0|1,0,1]=4 19 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [0,1,0,0,1,0|1,0,1]=4 20 B15R1.497 CC(=O)OCCNC(=O)c1cccnc1 T24786 [0,1,0,0,0,1|1,0,1]=4 21 B13R2.72 CC(=O)c1c[nH]c2ccccc12 T20585 [0,0,0,1,1,0|1,0,1]=4 22 B15R2.6 OC(=O)CCc1c[nH]c2ccccc12 T5297 [0,0,0,1,0,1|2,0,0]=4 23 B15R2.68122 CC(=O)Oc1cccc2ccccc12 T19084 [0,0,0,1,0,1|0,0,1]=3 24 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,2,0|0,0,0]=2 25 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,2,0|0,0,0]=2 26 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,2,0|0,0,1]=3 27 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,2,0|1,0,0]=3 28 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,2,0|1,0,0]=3 29 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,2,0|0,0,0]=2 30 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,2,0|2,0,0]=4 31 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,2,0|1,0,0]=3 32 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,2,0|1,0,0]=3 33 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,0,0,2,0|1,0,0]=3 34 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,2,0|1,0,1]=4 35 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,0,0,2,0|1,0,0]=3