0 B8R1.11 CC1=C(C#N)SN=N1 RJC-06A-009 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 CC1=C(C=O)SN=N1 ACI-00610 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.11 CC1=C(CCl)SN=N1 ACI-00620 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,0,0,0,0,0|2,1,1]=4 7 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.11 CC1=C(CO)SN=N1 ACI-00607 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.11 CC1=NSC=C1C#N ACI-NI-00747 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.11 CN1N=CC=C1C=O ACI-00851 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.4 CC1=C(Br)SN=C1 ACI-NI-00748 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.4 CC1=C([S-])SN=N1 ACI-00617 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.4 CN1N=CC=C1N RH-05E-001 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.4 ClC1=C(Br)SC=C1 ACI-02394 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.4 ClC1=C(Cl)S[S+]=N1 ACI-00919 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.14 COC1=C(C=O)SC=C1 ACI-05570 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.22 NC1=NC(Cl)=C(C=O)S1 ACI-00963 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.41 CC1=C(C(=N)N)SN=N1 RJC-06A-011 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.41 CC1=C(C(=O)Cl)SN=N1 ACI-00609 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.41 CC1=C(C(=O)O)SN=N1 ACI-NI-00033 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.41 CC1=C(C(N)=O)SN=N1 ACI-00611 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.41 CC1=C(C(N)=S)SN=N1 ACI-00612 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [0,0,0,0,0,1|2,0,1]=4 41 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,0,0,0,0,1|3,0,0]=4 42 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,0,0,0,0,1|3,0,0]=4 43 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 CC1=CSN=N1 ACI-05802 [2,0,0,0,0,0|1,0,0]=3 45 B6R1.2 CC1=NSC=C1 ACI-00539 [2,0,0,0,0,0|2,0,0]=4 46 B6R1.2 [S-]C1=CN=NS1 ACI-01290 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [1,1,0,0,0,0|1,0,1]=4 51 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 CC1=CC(C(=N)N)=CC=N1 ACI-02507 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.61 CC1=CN=CC=C1C(=N)N ACI-02506 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ACI-00579 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.59 CC1=C(C(N)=O)SC(Cl)=N1 ACI-05372 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 JM-10G-003 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.149 CC1=C(\C(N)=N\O)SN=N1 RJC-06A-010 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.149 COC(=O)C1=C(C)N=NS1 RJC-06A-012 [0,2,0,0,0,0|1,0,1]=4 64 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [0,0,1,1,0,0|2,0,0]=4 65 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [0,0,1,1,0,0|2,0,0]=4 66 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,1,1,0,0|1,0,0]=3 67 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,1,1,0,0|2,0,0]=4 68 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,1,1,0,0|2,0,0]=4 69 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [0,0,1,1,0,0|1,1,0]=4 70 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [0,0,1,1,0,0|1,0,0]=3 71 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [0,0,1,1,0,0|1,0,0]=3 72 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [0,0,1,1,0,0|2,0,0]=4