0 B6R0.1 C=CC(=O)CCC H17062 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC\C(N)=N/O H14022 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCOC(=O)CN A14488 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCO\C(C)=N/O H17707 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|0,0,3]=4 6 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C\C(I)=C\CI D16723 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 CCCC(N)C(=O)O N4933 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.5 CCC[C@@H](N)C(=O)O N11127 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.5 CCC[C@H](N)C(=O)O N11126 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,1,0,0|1,0,2]=4 13 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 O=CC1=CC=CN1 P4103 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.1 O=CC1=CC=CS1 T1387 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.1 O=CC1=CN=CS1 T17632 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 O=CC1=CNC=N1 I2653 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.1 O=CC1=CSC=N1 T17623 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 O=CC1=NNC=C1 M3639 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.2 CC1=CC=C(C)N1 D1487 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 CC1=CC=C(C)S1 P14109 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 CC1=CNC(C)=N1 D12856 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 CN1C=C(Br)C=N1 B18453 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.3 CC1=CN=CN=C1 M17713 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 O=C1C=CCCC1 C17765 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.4 C=C1CCOC1=O M11697 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|1,0,1]=3 32 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.1 CCC(=N)N P12993 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,0,2]=4 35 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.2 CC(C)=CC(=O)O D18784 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.3 CCC(N)C(=O)O A2780 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.3 CC[C@H](N)C(N)=O A3220 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.4 CC\C=C\C(=N)N P16911 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.4 NCCCC(=O)O A19243 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 O=C(Cl)CCCCl C18875 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.8 CCCCC(C)C(=O)Cl M12954 [0,2,0,0,0,0|0,0,2]=4 47 B8R0.12 CCC[C@@](C)(N)C(=O)O A15416 [0,2,0,0,0,0|0,0,2]=4 48 B6R1.2 CC1=CON=C1 M14375 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|0,0,1]=3 50 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|1,0,1]=4 51 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 52 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|2,0,0]=4 53 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|0,0,1]=3 54 B6R1.11 O=C(O)C1CC1 C1203 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.1 CC1=NC=C(C=O)S1 M15635 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.1 CCC1=NC(C)=CN1 E1457 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.1 CCC1=NC(C)=CN1 E1887 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.1 CCC1=NC(C)=CS1 E0630 [0,1,0,1,0,0|0,1,0]=3 60 B8R1.1 CN1C=C(C=O)C=N1 M11562 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 CC1=CN=CC(C)=C1 D3192 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|1,0,1]=4 64 B8R1.2 N#CC1=CCCCO1 D16193 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.5 CC1CNCCC1=O M11274 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.5 CC1CNCCC1=O M19160 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.5 CC1NCCNC1=O M17109 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.50 CC1=C(O)COC1=O H15815 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.7 NC(=O)C1=NCCN1 D14788 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.7 O=C(O)C1CCCN1 P6294 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.11 C=CN1CCCC1=O P0980 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.11 CC1=C(CO)N=CN1 M12810 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.11 CC1=C(CO)NC=N1 M5101 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.11 CSC1=C(C)OC=C1 M6703 [0,1,0,1,0,0|2,0,0]=4