0 B8R1.7 C=C(C)C1=NC=CS1 5670AL [0,0,0,0,0,0|1,0,2]=3 1 B8R1.7 CC(=O)C1=CC=NO1 4156AC [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 CC(=O)C1=CN=CS1 5381AC [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,0,0,0,0,0|0,1,2]=3 4 B8R1.7 CC(=O)C1=NC=NN1 4769AD [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CC(=O)N1CCCC1 4743AL [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 CC(C)C1=NC=CS1 V3543 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.7 CC(C)C1=NCCO1 5673AL [0,0,0,0,0,0|1,1,1]=3 10 B8R1.7 CN(N)C1=NCCN1 5636AE [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 NC(=O)C1=CNC=N1 2439AB [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 NC(=O)C1=COC=N1 Z4456 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.7 NC(=O)C1=CSC=N1 Y5399 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 NC(=O)C1=NC=CS1 X5637 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.7 NC(=S)C1=NC=CS1 7785AH [0,0,0,0,0,0|1,1,2]=4 16 B8R1.7 O=C(O)C1=COCC1 W9830 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,0,0|1,1,2]=4 18 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,0,0,0|2,0,2]=4 20 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [0,0,0,0,0,0|1,0,2]=3 21 B7R1.1 COC1=NCCN1 2725AB [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 CSC1=NCCN1 1402AQ [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 CSC1=NCCS1 X2626 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 O=CC1=CNN=N1 Z5678 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,0,0,0|0,1,2]=4 27 B7R1.1 O=CN1CCCC1 0706AQ [1,0,0,0,0,0|3,0,0]=4 28 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,1,0,0,0,0|2,0,1]=4 29 B9R1.11 CNC(=O)C1CCCN1 Y7477 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.11 CNC(=O)[C@@H]1CCCN1 8574AH [0,1,0,0,0,0|1,0,2]=4 31 B9R1.11 COC(=O)C1=NC=CO1 3452AB [0,1,0,0,0,0|0,1,2]=4 32 B9R1.11 CSC(=O)C1=CSC=N1 V9051 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.11 NCC(=O)N1CCCC1 1553AE [0,1,0,0,0,0|3,0,0]=4 34 B9R1.11 NCC(=O)N1CCCC1 V4616 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.11 NNC(=O)C1=NC=CS1 Y7769 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.11 O=C(CBr)C1=CSC=N1 3999AJ [0,1,0,0,0,0|2,0,1]=4 37 B9R1.11 O=C(CBr)C1=NC=CS1 6733AD [0,1,0,0,0,0|0,0,2]=3 38 B9R1.11 O=C(CCl)C1=NC=CO1 1641AJ [0,1,0,0,0,0|0,1,2]=4 39 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [0,1,0,0,0,0|1,0,2]=4 41 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,0,0,0|0,1,2]=4 42 B9R1.35 CC(=O)C1=NC=C(Br)S1 2132AC [0,1,0,0,0,0|0,0,2]=3 43 B9R1.35 CC1=NN=C(C(=O)O)S1 6856AB [0,1,0,0,0,0|2,0,1]=4 44 B9R1.35 NC1=NN=C(C(=O)O)S1 9637AB [0,1,0,0,0,0|2,0,1]=4 45 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,0,0,0|1,0,2]=4 46 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,0,0,0|1,0,2]=4 48 B9R1.41 CC(=O)C1=NON=C1C 8383AA [0,1,0,0,0,0|3,0,0]=4 49 B7R0.4 CC(=O)NCCCN V5818 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.4 CC(=O)NCCCN V6432 [0,0,1,0,0,0|2,0,1]=4 51 B7R0.4 CC(=O)NCCCO 8280AC [0,0,1,0,0,0|2,1,0]=4 52 B7R0.4 CCCCNC(C)=O 7541AF [0,0,1,0,0,0|3,0,0]=4 53 B7R0.5 CCOC(=N)C(C)C 8345AC [0,0,1,0,0,0|1,1,1]=4 54 B7R0.5 CCSC(C)C(=O)O 6924AD [0,0,1,0,0,0|2,0,1]=4 55 B7R0.15 CC(=O)\C(C#N)=N\O 0690AC [0,0,1,0,0,0|3,0,0]=4 56 B7R1.18 CC(=O)N1C=CC1 6529AA [0,0,0,0,1,0|2,0,1]=4 57 B7R1.18 NC(=O)C1CCN1 Z9521 [0,0,0,0,1,0|1,0,2]=4 58 B7R1.18 O=C(O)C1CCN1 0741AC [0,0,0,0,1,0|1,0,2]=4 59 B7R1.18 O=C(O)C1CCO1 3540AC [0,0,0,0,1,0|1,1,1]=4 60 B9R1.6 CC(=O)C1=CSCCN1 8361AA [0,0,0,0,0,1|0,0,1]=2 61 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,0,0,0,0,1|1,0,2]=4 62 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,0,0,0,0,1|1,0,2]=4 63 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,0,0,0,0,1|1,0,2]=4 64 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,0,0,0,0,1|1,0,2]=4 65 B9R1.6 CC(=O)C1CCNCC1 W5306 [0,0,0,0,0,1|2,0,1]=4 66 B9R1.6 NC(=O)C1=CNCCC1 8430AE [0,0,0,0,0,1|2,0,1]=4 67 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,0,0,0,0,1|1,0,2]=4 68 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,0,0,0,1|2,1,0]=4 69 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,0,0,0,0,1|1,0,2]=4 70 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,0,1|1,0,2]=4 71 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,0,1|1,0,2]=4 72 B9R1.13 CC(=O)NC1=NC=CN1 7457AB [0,0,0,0,0,1|1,0,2]=4 73 B9R1.13 O=C(O)C=C1CCCC1 9908AA [0,0,0,0,0,1|3,0,0]=4 74 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,0,1|1,0,2]=4 75 B6R0.4 CC(=O)CCCBr W5938 [1,0,1,0,0,0|1,0,1]=4 76 B6R0.4 CC(=O)NCCCl W8163 [1,0,1,0,0,0|1,0,1]=4 77 B6R0.4 CC(=O)OCCCl 7237AF [1,0,1,0,0,0|1,1,0]=4 78 B6R0.4 CC(=O)SCC#N 6370AE [1,0,1,0,0,0|0,0,2]=4 79 B6R0.4 CC(=O)SCCN 5884AD [1,0,1,0,0,0|0,0,1]=3 80 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|2,0,0]=4 81 B6R0.4 CC\C=C\C(=O)O 6805AA [1,0,1,0,0,0|2,0,0]=4 82 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|2,0,0]=4 83 B6R0.6 C\C=C/CCCCl 7455AL [1,0,1,0,0,0|2,0,0]=4 84 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|2,0,0]=4 85 B6R0.6 C\C=C\SCCC U946 [1,0,1,0,0,0|1,0,0]=3 86 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|0,1,1]=4 87 B6R0.1 CCSC(=O)CC 8960AL [1,0,1,0,0,0|1,0,1]=4 88 B6R0.3 CCC(C)C(C)=O U423 [1,0,1,0,0,0|1,0,1]=4 89 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,1,0,0,0|0,0,1]=3 90 B6R0.3 CSC(C)C(=O)O 6148AE [1,0,1,0,0,0|1,0,1]=4 91 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,1,0,0,0|0,0,1]=3 92 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,1,0,0,0|1,0,0]=3 93 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,0,1,0,0,0|2,0,0]=4 94 B6R0.9 C\N=C(/NC)SC 1480AL [1,0,1,0,0,0|1,0,0]=3 95 B6R1.2 CC1=CCCC1 9313AJ [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|1,1,0]=4 97 B6R1.2 CC1=NNCC1 6440AD [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 CC1CCCS1 7972AJ [2,0,0,0,0,0|1,0,1]=4 99 B6R1.2 NC1=NCCO1 5489AL [2,0,0,0,0,0|1,1,0]=4 100 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|1,0,1]=4 101 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,1,0,0,0|2,0,0]=4 102 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,1,0,0,0|1,1,0]=4 103 B8R0.18 CC(=O)C(=NO)C(C)=O 9404AD [0,1,1,0,0,0|2,0,0]=4 104 B8R1.1 O=CC1=NC=C(Br)S1 Y5660 [1,1,0,0,0,0|0,0,2]=4 105 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [1,1,0,0,0,0|0,0,2]=4 106 B8R1.8 CCCC1=NCCN1 5769AL [1,1,0,0,0,0|1,0,1]=4 107 B8R1.8 CCCC1=NCCO1 5790AL [1,1,0,0,0,0|0,1,1]=4 108 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,0,1,0|1,0,1]=4 109 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,0,1,0|0,0,2]=4 110 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,1,0,0,1,0|0,0,2]=4 111 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,1,0,0,1,0|2,0,0]=4 112 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,1,0,0,0,1|1,1,0]=4 113 B10R1.15 COC(=O)C1=CCOCC1 1300AA [0,1,0,0,0,1|2,0,0]=4 114 B10R1.27 O=C(CCl)NC1=NC=CS1 5342AE [0,1,0,0,0,1|0,0,2]=4 115 B10R1.27 O=C(CCl)NC1=NN=CS1 3786AE [0,1,0,0,0,1|1,0,1]=4 116 B10R1.54 CC(=O)NC1=NC=C(C)S1 V6925 [0,1,0,0,0,1|0,0,2]=4 117 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 0584AQ [0,1,0,0,0,1|0,0,2]=4 118 B10R1.54 O=C(O)CC1=NC(=O)CS1 9551AE [0,1,0,0,0,1|1,0,1]=4 119 B8R1.5 O=C1CCCC=C1Br V6293 [0,0,1,1,0,0|2,0,0]=4 120 B8R1.5 O=C1CCCC=C1I 2099AL [0,0,1,1,0,0|2,0,0]=4 121 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,0,2,0|0,1,1]=4 122 B8R1.2 CSC1=NCCCN1 5332AE [1,0,0,0,0,1|2,0,0]=4 123 B8R1.2 CSC1=NCCCS1 6152AE [1,0,0,0,0,1|1,0,0]=3 124 B10R1.66 O=C(O)CSC1=NCCN1 0931AE [0,0,0,0,0,2|2,0,0]=4