0 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,0,0,0,0,0|3,1,0]=4 3 B5R0.1 C=CCC(=N)N V13123 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,1,0,0,0,0|1,0,2]=4 10 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,0,0,1,0,0|2,1,0]=4 12 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,0,0,1,0,0|1,1,1]=4 13 B7R1.2 CC1=CC=C(C)N1 D1487 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.2 CC1=CC=C(C)S1 P14109 [0,0,0,1,0,0|1,1,0]=3 15 B7R1.2 CC1=CN=C(Cl)S1 C3520 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.2 CC1=CN=C(N)S1 A0591 [0,0,0,1,0,0|2,1,0]=4 17 B7R1.2 CC1=CNC(C)=N1 D12856 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.2 CC1=CSC(N)=N1 A5326 [0,0,0,1,0,0|2,1,0]=4 19 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 CC1=NC(I)=CN1 M4036 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,1,0,0|3,0,0]=4 25 B5R0.5 CC(=O)C(C)O A1243 [0,0,0,0,1,0|1,0,1]=3 26 B5R0.5 CC(Br)C(=O)O B18872 [0,0,0,0,1,0|2,0,1]=4 27 B5R0.5 CC(C)C(N)=O I11048 [0,0,0,0,1,0|1,0,2]=4 28 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,0,0,1,0|2,0,1]=4 29 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,0,0,1,0|2,0,1]=4 32 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,0,0,1,0|2,0,1]=4 33 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,1|3,0,0]=4 34 B7R0.6 CC(=O)CNC(C)=O O12675 [0,0,0,0,0,1|2,0,0]=3 35 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|0,0,1]=3 37 B6R0.1 CCO\C(C)=N/O H17707 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.1 CNCC(=O)OC M5408 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [0,1,0,0,0,1|2,0,0]=4 40 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [0,1,0,0,0,1|2,0,0]=4 41 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,2,0,0,0,0|0,0,2]=4 42 B6R1.2 CC1=CNC=N1 M0110 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.2 CC1=NC=CN1 M18847 [1,0,0,1,0,0|2,0,0]=4 44 B6R1.2 CC1=NC=CS1 M17737 [1,0,0,1,0,0|1,1,0]=4 45 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|1,0,1]=4 49 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [0,1,0,1,0,0|0,1,1]=4 51 B8R1.1 CC1=NC(CO)=CN1 M14970 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.1 CC1=NC(CO)=CS1 M15583 [0,1,0,1,0,0|1,1,0]=4 53 B8R1.1 CCC1=NC(C)=CN1 E1457 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.1 CCC1=NC(C)=CN1 E1887 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.1 CCC1=NC(C)=CS1 E0630 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.1 O=C1C=C[C@H](CO)O1 H15822 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.1 O=CC1=CC=C(Br)O1 B8007 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.1 O=CC1=CC=C(I)O1 I9961 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.4 CC1=CN=CC(C)=C1 D3192 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.18 C=C1CC(=O)OC1=O I0486 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.18 CC1=NC(C)=C(Br)S1 B8669 [0,1,0,1,0,0|1,1,0]=4 65 B8R1.18 CC1=NC(C)=C(C)S1 T11320 [0,1,0,1,0,0|1,1,0]=4 66 B8R1.18 CN1CC(=O)N=C1N C5652 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|2,0,0]=4