0 B9R1.37 CC1=C(Br)C(Br)=C(C)S1 W10472 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.37 O=C1O[C@H](O)C(Br)=C1Br 31315 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,0,0,0,0,0|1,1,1]=4 7 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,0,0,0,0,0|1,1,1]=4 8 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,0,0,0,0,0|1,1,1]=4 9 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1=NN(C)C=C1Cl 57531 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1=NN(C)C=C1I C76091 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.18 CC1=NN(C)C=C1O F30460 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [1,0,0,0,0,0|2,1,0]=4 16 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.50 CC1=C(Br)COC1=O W19136 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.50 CC1=NOC(C)=C1O AT19674 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.256 CC1=NN(C)C(Cl)=C1CO A11864 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.22 CC1=CC(=O)C(Br)=C(C)O1 AT10845 [0,0,0,0,0,1|1,0,1]=3 23 B10R1.22 CC1=CC(=O)C(C)=C(C)N1 W12381 [0,0,0,0,0,1|2,0,1]=4 24 B10R1.22 CC1=CC(O)=C(Cl)C(C)=C1 F11672 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.22 CC1=CC(O)=C(N)C(C)=C1 FD10652 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.22 CC1=NC(O)=C(Br)C(C)=N1 W17621 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.118 CC1=NC(C)=C(C)N=C1O Y10052 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.118 CC1=NN(C)C(=O)C=C1O AR2711 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.119 CC1=CC=C(C)C(O)=C1O 73816 [0,0,0,0,0,1|1,0,2]=4 30 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.10 C=CC(=O)N(C)OC AT20366 [1,0,1,0,0,0|2,0,0]=4 33 B7R1.2 CC1=CC(=O)CO1 Y10351 [2,0,0,0,0,0|0,0,0]=2 34 B7R1.2 CC1=CC=C(Br)O1 C71939 [2,0,0,0,0,0|1,0,1]=4 35 B7R1.2 CN1C=C(O)C=N1 W16286 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [2,0,0,0,0,0|1,0,0]=3 37 B7R1.2 NC1=CC(=O)CC1 90005 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.2 NC1=CC(=O)NO1 D73552 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.2 NC1=NC(=O)CO1 C73385 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.2 O=C1C=C(Br)CC1 W19329 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.2 O=C1C=C(Br)CO1 W10959 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.2 O=C1C=C(I)CC1 A12694 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.2 O=C1C=C(O)CO1 F21287 [2,0,0,0,0,0|1,0,1]=4 44 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.2 O=C1COC(=O)N1 F20602 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.4 CC1=C(Br)C=NO1 F19689 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.4 CC1=C(N)C=NO1 D82481 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.4 CC1=CCOC1=O T72100 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,1,1,0,0,0|0,0,2]=4 51 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.464 CC1=CC(O)=C(C=O)C(C)=C1 34603 [0,1,0,0,0,1|1,0,1]=4 55 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,0,1,1,0,0|1,0,0]=3 56 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [1,0,0,0,0,1|1,0,1]=4 57 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [1,0,0,0,0,1|0,0,2]=4