0 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.1 C\C=C(C)\C=C\C=C(C)C BBL027750 [0,1,0,0,0,0|1,0,0]=2 4 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,1,0,0,0,0|1,0,2]=4 5 B9R1.35 CC(=O)C1=CC(Br)=CS1 BBL104318 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.35 CC(=O)C1=CN(C)N=C1 BBL028299 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 CC(=O)C1=NN(C)C=C1 BBL039361 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.35 CC1=CC(C(=O)Cl)=CS1 BBL014946 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BBL023677 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 CC1=NC(C(=O)O)=CO1 BBL028443 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CN1C=CC(C(=O)Cl)=N1 BBL037396 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 NC(=O)C1=CC=C(Br)O1 BBL037288 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BBL014852 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 O=C(O)C1=CC=C(Br)O1 BBL009134 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 O=C(O)C1=CC=C(Br)S1 BBL016317 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BBL037515 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 O=C(O)C1=CC=C(F)S1 BBL040753 [0,0,0,1,0,0|3,0,0]=4 21 B7R0.6 CC(=O)CCC(C)=O BBL027731 [0,0,0,0,1,0|1,0,2]=4 22 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,0,0,0,1,0|1,0,2]=4 23 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,0,0,0,1,0|0,0,1]=2 24 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,0,0,0,1,0|1,0,0]=2 25 B9R0.55 O=C(O)\C=C\C=C\C(=O)O BBL027396 [0,0,0,0,0,1|3,0,0]=4 26 B10R0.3 CC(C)=CCC\C(C)=C\C=O BBL011666 [0,2,0,0,0,0|0,0,2]=4 27 B10R0.59 COC(=O)\C=C\CC(=O)OC BBL011528 [0,2,0,0,0,0|1,0,1]=4 28 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [1,0,0,1,0,0|1,0,0]=3 29 B8R1.1 CN1C=CC(C=O)=N1 BBL104309 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,0,0,1,0,1|1,0,1]=4 38 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [0,1,0,1,0,0|1,0,1]=4 40 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [0,1,0,1,0,0|1,0,1]=4 41 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [0,1,0,1,0,0|1,0,1]=4 42 B10R1.14 CC1=CC=C(C(=O)NN)S1 BBL017585 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BBL037376 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.14 CCC(=O)C1=CC=C(C)S1 BBL016562 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.14 COC(=O)C1=CC=C(Br)O1 BBL009127 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.14 COC(=O)C1=NN(C)C=C1 BBL039022 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BBL029191 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BBL014956 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.31 CCC1=CC=C(C(=O)O)S1 BBL028250 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.31 CCN1C=CC(C(C)=O)=N1 BBL038658 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.31 CN(C)C1=CC=C(C=O)S1 BBL010057 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBL015780 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.194 CC1=C(C)C(C(=O)Cl)=CS1 BBL014947 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 BBL016567 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.194 CC1=CC=C(C(N)=S)N1C BBL040709 [0,1,0,1,0,0|1,1,0]=4 57 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 BBL028028 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.329 CC1=CC(=O)CC(C)(C)C1 BBL027346 [0,1,0,1,0,0|0,0,2]=4 59 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,0,0,0,2,0|1,0,0]=3