0 B7R1.2 C1C(=O)NC(=O)S1 9422 [1,0,0,0,0,0|2,1,0]=4 1 B7R1.2 C1C(=O)NC(=S)N1 8467 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.2 C1C(=O)NC(=S)S1 10130 [1,0,0,0,0,0|2,1,0]=4 3 B7R1.2 C1CC(=O)CC1=O 5093 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 CC1=CC(=NN1)C 10496 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 CC1=CC(=NO1)C 9870 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.2 CC1=CC(=O)NO1 9631 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.2 CC1=CC=C(S1)Br 6601 [1,0,0,0,0,0|1,1,1]=4 8 B7R1.2 CC1=CSC(=N1)C 6124 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.2 CN1C=CC(=N1)N 6616 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CN1C=CC(=N1)N 9450 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 Cc1cc(n[nH]1)C D0196 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 Cc1csc(n1)C D0198 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.4 CC1=CC=NN1C 5243 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.4 CC1C(=O)CCO1 10277 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.38 CC1(CC(=O)OC1=O)C 6111 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,0,1,0,0,0|1,0,2]=4 17 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,0,1,0,0,0|1,0,1]=3 18 B9R1.34 CC1=CC(=CC(=C1)Br)C 6396 [0,0,0,0,0,1|2,0,1]=4 19 B9R1.34 CC1=CC(=CC(=C1)Br)C 8945 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.34 CC1=CC(=CC(=C1)C)C 5777 [0,0,0,0,0,1|2,0,1]=4 21 B9R1.34 CC1=CC(=CC(=C1)I)C 9209 [0,0,0,0,0,1|2,0,1]=4 22 B9R1.34 CC1=CC(=O)C=C(N1)C 6464 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.34 CC1=CC(=O)NC(=O)N1 6750 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.34 CC1=CC(=O)NC(=S)N1 10005 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.34 CC1=CC(=O)NC(=S)N1 9420 [0,0,0,0,0,1|2,0,1]=4 26 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [0,0,0,0,0,1|2,0,1]=4 27 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [0,0,0,0,0,1|2,0,1]=4 29 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [0,0,0,0,0,1|1,0,2]=4 30 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [0,0,0,0,0,1|2,0,1]=4 32 B6R0.1 CCOC(=O)C=O 6826 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.2 CC(=CC(=O)O)C 9276 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.3 CC(C(=O)OC)N 10241 [1,0,1,0,0,0|2,0,0]=4 35 B6R1.2 C1=CON=C1N 6722 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 C1CC(=O)C=C1 9804 [2,0,0,0,0,0|1,0,0]=3 37 B6R1.2 CC1=CC=CS1 8742 [2,0,0,0,0,0|0,1,1]=4 38 B6R1.2 CC1=CC=NN1 8083 [2,0,0,0,0,0|2,0,0]=4 39 B6R1.2 Cc1cccs1 M0049 [2,0,0,0,0,0|0,1,1]=4 40 B8R0.5 CCOC(=O)C[C@@H](C)O 8509 [0,1,1,0,0,0|0,0,2]=4 41 B8R0.19 CCC(=O)CC(=O)OC 10093 [0,1,1,0,0,0|0,0,2]=4 42 B8R1.1 CC1=NOC(=C1)CO M0741 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.50 CC1=C(C(=NO1)C)I 5030 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.329 CC1(OC(=O)CC(=O)O1)C 6622 [0,1,0,0,0,1|1,0,1]=4 45 B10R1.329 CC1(OC(=O)CC(=O)O1)C D0005 [0,1,0,0,0,1|1,0,1]=4 46 B10R1.191 CC1C(=C(C(=C1C)C)C)C 10272 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.4 C1CC(=CC(=O)C1)N 8165 [0,0,1,1,0,0|1,0,0]=3 48 B8R1.4 C1CC(=O)CC(=O)C1 10153 [0,0,1,1,0,0|0,0,2]=4 49 B8R1.3 CC1=CNC(=O)C=C1 9951 [1,0,0,0,0,1|1,0,1]=4