0 B5R0.1 C=CCC(=N)N V13123 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCCC(=O)O B18853 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CCC[C@H](C)O P4807 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.1 CNCC(=O)O S18803 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 COCC(=N)N M13846 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 COC[C@@H](C)O M5850 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 COC[C@H](C)O M5856 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CSCC(=N)N M13847 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C\C(I)=C\CI D16723 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 N#CCC(N)=O C0404 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(N)=NN A13105 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|0,0,3]=4 14 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|0,0,3]=4 15 B4R0.1 CSC(=N)N M13864 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NC(=O)NO H13275 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 C=CC(=O)CCC H17062 [0,1,0,0,0,0|0,0,3]=4 19 B6R0.1 CCOC(=O)CN A14488 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.1 CCO\C(C)=N/O H17707 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.1 CNCC(=O)OC M5408 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.2 C(C(=O)O)N(C)C D18801 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.2 CC(C)=CC(=O)O D18784 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,1,0,0,0,0|1,1,0]=3 26 B6R0.3 CCC(N)C(=O)O A2780 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 CC[C@H](N)C(=O)O H17729 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.4 CC\C=C\C(=N)N P16911 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.4 NCCCC(=O)O A19243 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.4 O=C(Cl)CCCCl C18875 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.4 O=C([O-])CNCO S17161 [0,1,0,0,0,0|2,0,1]=4 35 B6R1.2 BrC1=CC=CS1 B7561 [0,0,0,1,0,0|1,1,1]=4 36 B6R1.2 BrC1=CSC=C1 B7562 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 BrC1=NSC=C1 B19313 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 CC1=CNC=N1 M0110 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 CC1=CON=C1 M14375 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 CC1=NC=CN1 M18847 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 CC1=NC=CS1 M17737 [0,0,0,1,0,0|1,1,1]=4 42 B6R1.2 CC1=NNC=N1 M07295 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 CC1=NNC=N1 M07295 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 IC1=CC=CS1 I3940 [0,0,0,1,0,0|1,1,1]=4 45 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|0,0,0]=1 46 B6R1.2 O=C1C=CSN1 S19312 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|1,0,1]=3 48 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 O=C1NCCO1 O11604 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.11 CC(=O)C1CC1 C0960 [0,0,0,1,0,0|0,0,2]=3 51 B6R1.11 O=C(O)C1CC1 C1203 [0,0,0,1,0,0|1,0,2]=4 52 B3R0.2 CC(=N)N A12781 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 C=C[C@H](N)CO A18275 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.3 COC(=O)CN G18901 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|0,0,1]=3 56 B5R0.5 CC(Br)C(=O)O B18872 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.5 CC(C)C(N)=O I11048 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.5 C[C@H](N)C(N)=O A6327 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,2,0,0,0,0|0,0,0]=2 64 B7R0.3 COC(=O)\C=C\CBr M1565 [0,2,0,0,0,0|0,0,0]=2 65 B7R0.5 CCOC(=O)C(F)Br E1920 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.5 CCOC(=O)C(F)F E5215 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.7 COCC(=O)COC D12730 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.4 CC(=O)CCCCCl C18888 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.4 CCO\C=C\C(=N)N E16866 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.6 CC(=O)CNC(C)=O O12675 [0,2,0,0,0,0|0,0,1]=3 73 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|0,0,1]=3 74 B5R1.2 O=C1CCN1 A18280 [1,0,0,1,0,0|1,0,0]=3 75 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|1,0,1]=4 77 B5R1.1 C1=CON=C1 I12950 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 NCC1=CC=CO1 F2158 [0,1,0,1,0,0|0,0,2]=4 83 B7R1.1 NCC1=CC=CS1 T3333 [0,1,0,1,0,0|0,1,1]=4 84 B7R1.1 NCC1=NNC=C1 P17146 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 O=CC1=CC=CS1 T1387 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.1 O=CC1=NNC=C1 M3639 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.1 OCC1=NNC=C1 P17144 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.1 OCC1=NNC=C1 P17144 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.2 CC1=CC(=O)NN1 M2903 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,1,0,1,0,0|0,1,1]=4 93 B7R1.2 CC1=CC(N)=NO1 A0141 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,1,0,1,0,0|0,1,1]=4 95 B7R1.2 CC1=CC=C(C)N1 D1487 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.2 CC1=CC=C(C)S1 P14109 [0,1,0,1,0,0|0,1,0]=3 97 B7R1.2 CC1=CN=C(Cl)S1 C3520 [0,1,0,1,0,0|1,1,0]=4 98 B7R1.2 CC1=CN=C(N)S1 A0591 [0,1,0,1,0,0|1,1,0]=4 99 B7R1.2 CC1=CNC(C)=N1 D12856 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.2 CC1=CSC(N)=N1 A5326 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.2 CC1=NC(I)=CN1 M4036 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.2 O=C1CCC(=O)C1 C13983 [0,1,0,1,0,0|0,0,1]=3 105 B7R1.2 O=C1CNC(=O)O1 O13300 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.2 O=C1CSC(=O)N1 T0472 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.3 CC1=CN=CN=C1 M17713 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,1,0,0|0,0,0]=2 113 B7R1.3 O=C1CCNCC1 P3649 [0,1,0,1,0,0|0,0,2]=4 114 B7R1.3 O=C1CCNCC1 P7276 [0,1,0,1,0,0|0,0,2]=4 115 B7R1.3 O=C1CCOCC1 T11055 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.3 O=C1CNCCN1 P12440 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.4 C=C1CCOC1=O M11697 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.4 CC1=NNC=C1Br B7502 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.4 CC1OCCC1=O M5424 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.4 CN1SC=CC1=O M5023 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.4 N[C@@H]1CONC1=O C5656 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.4 O=C1OCCC1Br B11067 [0,1,0,1,0,0|1,0,1]=4