0 B7R1.2 Cc1cc(N)no1 T0644 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 Cn1ccc(N)n1 T3295 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 O=C1C=CC(=O)N1 T4820 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,0,0|2,0,1]=4 4 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,0,0|2,0,0]=3 5 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,0,0|1,1,1]=4 7 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [0,1,0,0,0,0|1,1,1]=4 8 B8R1.18 CN1CC(=O)N=C1N T0496 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(C)SC(=N)N T23300 [0,0,1,0,0,0|1,0,2]=4 10 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,0,0,1|1,0,0]=2 11 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,0,0,0,0,1|3,0,0]=4 12 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,0,0,1|1,0,2]=4 13 B5R0.1 CCSC(=N)N T22761 [1,0,1,0,0,0|1,0,1]=4 14 B5R0.1 C\C=C\C(=O)O T5301 [1,0,1,0,0,0|1,1,0]=4 15 B5R1.1 C1=CON=C1 T7500 [2,0,0,0,0,0|2,0,0]=4 16 B5R1.1 C1=C[CH-]C=C1 T20786 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|2,0,0]=4 18 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4 19 B9R1.22 CC1=CC(C#N)=C(N)S1 T1376 [0,2,0,0,0,0|2,0,0]=4 20 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [0,2,0,0,0,0|1,0,1]=4 21 B7R1.3 CC1=NC=CC=C1 T21323 [0,0,1,1,0,0|1,0,1]=4