0 B13R1.348 CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.348 [2H]C(C=C(C)C)CC1=CC=CC=C1 100554 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [1,0,0,0,0,0|1,0,2]=4 4 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [1,0,0,0,0,0|1,0,2]=4 5 B14R1.433 CC(C)(C)SC(=O)CC1=CC=CC=C1 102218 [0,1,0,0,0,0|0,1,0]=2 6 B14R1.743 CN\C(C)=C/C(=O)OC1=CC=CC=C1 13295 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,0,0,0,1,0|2,0,1]=4 8 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 102208 [0,0,0,0,1,0|2,0,0]=3 9 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,0,0,0,1,0|2,0,1]=4 11 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [2,0,0,0,0,0|1,0,1]=4 13 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [2,0,0,0,0,0|1,1,0]=4 16 B13R1.47 CCOC(=O)C(=O)C1=CC=CN=C1 101982 [1,1,0,0,0,0|1,0,1]=4 17 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [1,1,0,0,0,0|0,0,1]=3 19 B13R1.158 CC(C)C\C=C/C1=C(Br)C=CC=C1 100803 [1,1,0,0,0,0|1,0,1]=4 20 B13R1.158 CC(C)C\C=C/C1=C(F)C=CC=C1 100792 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.513 CC(C)C\C=C/C1=CC=C(F)C=C1 100524 [1,1,0,0,0,0|1,0,1]=4 22 B13R1.148 CN(C)C(=O)NC1=CC=CC(F)=C1 102792 [0,1,0,0,1,0|2,0,0]=4 23 B13R1.353 CC(C)(C)S(=O)NC1=CC=CC=C1 102203 [0,1,0,0,1,0|2,0,0]=4 24 B13R1.353 CC(C)(O)C(=O)CC1=CC=CC=C1 100957 [0,1,0,0,1,0|0,0,0]=2 25 B13R1.353 O=C(CC1=CC=CC=C1)C(F)(F)F 101979 [0,1,0,0,1,0|2,0,0]=4 26 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 16663 [0,1,0,0,1,0|1,1,0]=4 27 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 19494 [0,1,0,0,1,0|1,0,0]=3 28 B15R1.111 CC1=CC=C(NC(=O)CCC(C)C)C=C1 12480 [0,1,0,0,0,1|2,0,0]=4 29 B15R1.130 CC(C)OC(=O)\C=C\C1=CC=CC=C1O 20337 [0,1,0,0,0,1|0,0,1]=3 30 B15R1.870 CC(C)OC(=O)\C=C\C1=CC=C(Cl)C=C1 20341 [0,1,0,0,0,1|0,0,1]=3 31 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 102222 [0,1,0,0,0,1|0,0,0]=2 32 B15R1.1145 CC(C)NC(=O)NC1=CC=CC=C1C#N 19566 [0,2,0,0,0,0|2,0,0]=4 33 B15R1.5802 CC1=CC=CC=C1NC(=O)OC(C)(C)C 102501 [0,2,0,0,0,0|1,0,0]=3 34 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [1,0,0,1,0,0|1,0,1]=4 35 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 16653 [0,0,0,1,1,0|1,0,0]=3 36 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 16013 [0,0,0,1,1,0|0,0,0]=2 37 B15R2.629 CN(C)\C=C1/CC2=CC=CC=C2C1=O 13188 [0,1,0,1,0,0|2,0,0]=4 38 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,0,0,0,1,0|0,0,1]=3 39 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,0,0,0,2,0|1,0,1]=4 40 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [1,0,0,0,0,1|2,0,0]=4 41 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [1,0,0,0,0,1|0,0,0]=2 42 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [1,0,0,0,0,1|0,0,1]=3