0 B5R0.1 CCCC(=O)O B18853 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CCC[C@H](C)O P4807 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C\C(I)=C\CI D16723 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|2,1,0]=4 4 B4R0.1 CC(N)=NN A13105 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CSC(=N)N M13864 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@@H](Cl)CO C4812 [1,0,0,0,0,0|1,1,1]=4 10 B4R0.1 C[C@@H](N)CN D1041 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C[C@@H](N)CN D7317 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@@H](N)CO A1425 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 C[C@H](Cl)CO C4811 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C[C@H](O)CN A5854 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@H](O)CO P6701 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|2,1,0]=4 27 B4R0.1 N=C(N)CF F14053 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 N=C(N)CN A17678 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 CCOC(=O)CN A14488 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCO\C(C)=N/O H17707 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.2 CC(C)=CC(=O)O D18784 [0,1,0,0,0,0|0,1,1]=3 32 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,1,0,0,0,0|0,1,2]=4 34 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|0,1,2]=4 35 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|0,1,2]=4 36 B6R0.3 CC(C)\C(N)=N\O H12994 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.3 CN(C)\C(N)=N/O A12817 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.3 N[C@@H](CS)C(=O)O C0937 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 N[C@@H](CS)C(=O)O C0937 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 N[C@@H](CS)C(=O)O C2088 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 N[C@@H](CS)C(=O)O C2088 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 N[C@H](CS)C(=O)O C6089 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 CC\C=C\C(=N)N P16911 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 CN(C)CCCN D2364 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 N=C(N)NCCS M17502 [0,1,0,0,0,0|2,0,1]=4 46 B6R1.2 BrC1=CSC=C1 B7562 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.2 BrC1=NSC=C1 B19313 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 CC1=CNC=N1 M0110 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 CC1=CON=C1 M14375 [0,0,0,1,0,0|1,1,1]=4 50 B6R1.2 CC1CCNC1 M17094 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 O=C1C=CSN1 S19312 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|1,0,1]=3 56 B6R1.3 NCCC1CC1 C14004 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.11 CC(=O)C1CC1 C0960 [0,0,0,1,0,0|2,0,1]=4 58 B3R0.2 CC(=N)N A12781 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 C=C(CCl)CCl C19303 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.3 CC(CN)CO A15437 [1,1,0,0,0,0|0,1,1]=4 61 B5R0.3 COC(=O)CN G18901 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.4 C[Si](C)(C)CCl C16837 [1,1,0,0,0,0|1,1,0]=4 63 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 CC(C)C(=N)N M12995 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(C)C(N)=O I11048 [1,1,0,0,0,0|0,1,1]=4 66 B5R0.5 CN(C)C(=N)N D13765 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.3 COC(=O)\C=C\CBr M1565 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)[C@@H](N)CS C7887 [0,2,0,0,0,0|1,0,1]=4 69 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|1,0,1]=4 70 B5R1.2 O=C1CCN1 A18280 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|1,1,0]=4 72 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|1,0,1]=4 73 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.4 CC1=C(C)SC=N1 D0729 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.4 CN1SC=CC1=O M5023 [0,1,0,1,0,0|1,0,1]=4