0 B6R1.2 C[C-]1C=CC=C1 T20558 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 Cn1ccnc1 T0575 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 Nc1nccs1 T0495 [0,0,0,0,0,0|2,1,0]=3 3 B5R1.1 C1=CON=C1 T7500 [1,0,0,0,0,0|1,0,0]=2 4 B5R1.1 C1=C[CH-]C=C1 T20786 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.2 Cc1cc(N)no1 T0644 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.2 Cn1ccc(N)n1 T3295 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.2 O=C1C=CC(=O)N1 T4820 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.4 C=C1CCOC1=O T5320 [0,1,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(C)=CCO T4747 [0,0,1,0,0,0|2,0,1]=4 10 B5R0.1 C\C=C\C(=O)O T5301 [0,0,1,0,0,0|1,0,1]=3 11 B7R1.3 CC1=NC=CC=C1 T21323 [0,0,0,0,0,1|1,0,0]=2 12 B7R1.3 Clc1cnccn1 T2193 [0,0,0,0,0,1|2,0,0]=3 13 B4R0.1 CC(=O)C=O T19536 [1,0,1,0,0,0|1,0,1]=4 14 B4R0.1 O=CC(=O)O T16356 [1,0,1,0,0,0|2,0,0]=4 15 B4R0.1 O=CC(=O)O T4843 [1,0,1,0,0,0|2,0,0]=4 16 B6R0.2 CC(C)=CC(=O)O T5305 [0,1,1,0,0,0|1,0,1]=4 17 B6R0.3 C\C=C(/C)C(=O)O T5542 [0,1,1,0,0,0|1,0,1]=4 18 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,1,1,0,0,0|1,0,1]=4 19 B6R0.4 NC\C=C\C(=O)O T23414 [0,1,1,0,0,0|1,0,1]=4 20 B6R0.4 O=C(O)\C=C\CO T23473 [0,1,1,0,0,0|1,0,1]=4 21 B6R0.6 CC\C=C/CCO T22295 [0,1,1,0,0,0|0,0,2]=4 22 B8R1.2 N#Cc1ncccn1 T7451 [0,1,0,0,0,1|1,0,1]=4 23 B8R1.2 NCc1cccnc1 T1581 [0,1,0,0,0,1|1,0,0]=3 24 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,1,0,0,0,1|1,0,1]=4 25 B8R1.2 OCC1=CC=CC=C1 T0732 [0,1,0,0,0,1|1,0,0]=3 26 B8R1.2 OCc1ccccn1 T1112 [0,1,0,0,0,1|1,0,0]=3 27 B8R1.2 OCc1cccnc1 T1299 [0,1,0,0,0,1|1,0,0]=3 28 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,0,0,1|1,0,0]=3 29 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,0,0,1|2,0,0]=4 31 B8R1.4 Oc1cccc(O)n1 T4720 [0,1,0,0,0,1|2,0,0]=4 32 B8R1.5 Nc1ccncc1N T4497 [0,1,0,0,0,1|2,0,0]=4 33 B8R1.5 Nc1ncccc1O T7923 [0,1,0,0,0,1|2,0,0]=4 34 B8R1.5 O=c1ccocc1O TL0015 [0,1,0,0,0,1|1,0,0]=3 35 B8R1.5 ON1C=CC=CC1=S T12593 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,2,0,0,0,0|0,0,0]=2 37 B8R1.1 NCC1=CC(=O)NO1 T20657 [0,2,0,0,0,0|1,0,0]=3 38 B8R1.7 O=C(O)c1ccco1 T5544 [0,2,0,0,0,0|0,0,1]=3 39 B8R1.8 NCCC1=CNC=N1 T6535 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.11 CSc1nccn1C T8612 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.18 C=C1CC(=O)OC1=O T5321 [0,2,0,0,0,0|1,0,1]=4 42 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [0,2,0,0,0,0|0,0,1]=3 43 B6R1.1 c1cncnc1 T4809 [0,0,1,1,0,0|2,0,0]=4