0 B5R0.1 C=CCC(=N)N V13123 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CCCC(=O)O B18853 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CNCC(=O)O S18803 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C\C(I)=C\CI D16723 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 N#CCC(N)=O C0404 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(N)=NN A13105 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 NC(=O)NO H13275 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 C=CC\C(N)=N\O H13122 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(=O)CN A14488 [0,1,0,0,0,0|0,0,2]=3 11 B6R0.1 CCO\C(C)=N/O H17707 [0,1,0,0,0,0|0,0,3]=4 12 B6R0.1 CNCC(=O)OC M5408 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(C)=CC(=O)O D18784 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 C=CCCC(=N)N P16910 [0,1,0,0,0,0|3,0,0]=4 17 B6R1.2 BrC1=CC=CS1 B7561 [0,0,0,1,0,0|1,1,1]=4 18 B6R1.2 BrC1=NC=CS1 B7609 [0,0,0,1,0,0|2,1,0]=4 19 B6R1.2 CC1=CNC=N1 M0110 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 CC1=NC=CN1 M18847 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.2 CC1=NC=CS1 M17737 [0,0,0,1,0,0|1,1,0]=3 22 B6R1.2 CC1=NNC=N1 M07295 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 CC1=NNC=N1 M07295 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 IC1=CC=CS1 I3940 [0,0,0,1,0,0|1,1,1]=4 25 B6R1.2 NC1=NC=CN1 A6573 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|1,0,1]=3 27 B6R1.2 O=C1C=CSN1 S19312 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 O=C1NCCO1 O11604 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.11 CC(=O)C1CC1 C0960 [0,0,0,1,0,0|1,0,2]=4 32 B3R0.2 CC(=N)N A12781 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 C=C[C@H](N)CO A18275 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.3 COC(=O)CN G18901 [1,1,0,0,0,0|0,0,1]=3 35 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|0,0,2]=4 36 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.3 COC(=O)\C=C\CBr M1565 [0,2,0,0,0,0|1,0,1]=4 40 B7R0.5 C=CC[C@H](N)C(=O)O A15402 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(F)Br E1920 [0,2,0,0,0,0|0,0,2]=4 42 B7R0.5 CCOC(=O)C(F)F E5215 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.4 C=CCNCC(=O)O A18405 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.6 CC(=O)CNC(C)=O O12675 [0,2,0,0,0,0|1,0,1]=4 47 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|0,0,2]=4 48 B5R1.2 O=C1CCN1 A18280 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|1,0,1]=4 50 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|2,0,0]=4 51 B5R1.1 C1=CNC=N1 I18837 [1,0,0,1,0,0|2,0,0]=4 52 B5R1.1 C1=CON=C1 I12950 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.1 CCC1=NC=CN1 E1455 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.1 NCC1=CC=CO1 F2158 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.1 NCC1=CC=CS1 T3333 [0,1,0,1,0,0|1,1,0]=4 56 B7R1.1 NCC1=NC=CN1 I17075 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.1 NCC1=NC=CS1 A16694 [0,1,0,1,0,0|1,1,0]=4 58 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.1 O=CC1=CC=CS1 T1387 [0,1,0,1,0,0|0,1,1]=4 61 B7R1.1 O=CC1=NC=CS1 T17639 [0,1,0,1,0,0|1,1,0]=4 62 B7R1.1 OCC1=NC=CN1 I14917 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,1,0,1,0,0|1,1,0]=4 64 B7R1.2 CC1=CC(N)=NO1 A0141 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.2 CC1=CC=C(C)N1 D1487 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.2 CC1=CC=C(C)S1 P14109 [0,1,0,1,0,0|1,1,0]=4 68 B7R1.2 CC1=CNC(C)=N1 D12856 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.2 CC1=NC(I)=CN1 M4036 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,1,0,1,0,0|1,0,1]=4 72 B7R1.2 O=C1CCC(=O)C1 C13983 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.2 O=C1CNC(=O)O1 O13300 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.2 O=C1CSC(=O)N1 T0472 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,1,0,1,0,0|0,0,2]=4 76 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,1,0,1,0,0|1,1,0]=4 79 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,1,0,1,0,0|1,1,0]=4 80 B7R1.4 CN1C=CN=C1Br B7503 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.4 CN1C=CN=C1S T0187 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.4 CN1C=CN=C1S T0187 [0,1,0,1,0,0|1,1,0]=4 83 B7R1.4 CN1SC=CC1=O M5023 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.4 O=C1OCCC1Br B11067 [0,1,0,1,0,0|0,0,2]=4