0 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.42 O=C(\C=C\O)CCC1=CC=CC=C1 12207 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.42 O=C(\C=C\[O-])CCC1=CC=CC=C1 12208 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.8 NCCCNCC1=CC=CC=C1 19997 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 19208 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 17058 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1N 10687 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.15 CCC1C(=O)NC1C2=CC=CC=C2 18222 [0,0,0,1,0,0|1,0,0]=2 16 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,0,0,0,1,0|1,0,1]=3 17 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [2,0,0,0,0,0|0,0,1]=3 18 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12294 [1,1,0,0,0,0|2,0,0]=4 20 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12295 [1,1,0,0,0,0|2,0,0]=4 21 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 19830 [1,1,0,0,0,0|2,0,0]=4 22 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.351 CN(C)C(=O)NCC1=CC=CC=C1 102217 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [0,1,0,0,1,0|1,0,1]=4 25 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,1,0,0,1,0|1,0,1]=4 26 B15R1.11 COCC(=O)NCCC1=CC=C(Cl)C=C1 102191 [0,1,0,0,0,1|2,0,0]=4 27 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 102222 [0,2,0,0,0,0|2,0,0]=4 28 B13R2.1028 CCCCC1CC2=CC=CC=C21 16576 [1,0,0,1,0,0|1,0,1]=4 29 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [1,0,0,1,0,0|1,0,0]=3 30 B15R2.31 O=C1C=C(NC2=CC=CC=C2)CCC1 13493 [0,0,0,1,0,1|1,0,1]=4 31 B15R2.17 N#CC1=CCCC(C2=CC=CC=C2)O1 13235 [0,1,0,1,0,0|1,0,1]=4 32 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,1,0|1,0,1]=4 33 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,0,0,0,1,0|1,0,1]=4 34 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,0,0,0,2,0|1,0,1]=4