0 B8R1.5 Nc1ccncc1N T4497 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.5 Nc1ncccc1O T7923 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.5 O=c1ccocc1O TL0015 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.5 ON1C=CC=CC1=S T12593 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 CC1=NC=CC=C1 T21323 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 Cc1cccc(O)c1O T3742 [0,1,0,0,0,0|0,1,0]=2 7 B9R1.3 Cc1occc(=O)c1O T5545 [0,1,0,0,0,0|1,1,0]=3 8 B9R1.3 OC1=CC=CC(O)=C1O T3749 [0,1,0,0,0,0|1,1,0]=3 9 B9R1.15 COc1ccccc1O T1301 [0,1,0,0,0,0|0,1,0]=2 10 B9R1.15 COc1ccccc1O T3267 [0,1,0,0,0,0|0,1,0]=2 11 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,0|0,1,0]=2 12 B9R1.69 CC1=CNC(=O)NC1=O TWO2759 [0,1,0,0,0,0|2,1,0]=4 13 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|1,1,0]=3 15 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [0,1,0,0,0,0|1,1,0]=3 16 B9R1.5 O=C1C=CC=CC=C1O T8087 [0,0,0,0,0,1|1,1,0]=3 17 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.2 NCc1cccnc1 T1581 [1,1,0,0,0,0|1,0,0]=3 19 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,1,0,0,0,0|0,0,1]=3 20 B8R1.2 OCC1=CC=CC=C1 T0732 [1,1,0,0,0,0|0,0,0]=2 21 B8R1.2 OCc1ccccn1 T1112 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.2 OCc1cccnc1 T1299 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,1,0,0,0,0|1,0,0]=3 25 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.4 Oc1cccc(O)n1 T4720 [1,1,0,0,0,0|1,1,0]=4 27 B8R1.11 CSc1nccn1C T8612 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.2 CCc1occc(=O)c1O T5566 [0,2,0,0,0,0|1,1,0]=4 29 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|0,1,0]=3 31 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,2,0,0,0,0|1,0,0]=3 32 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,2,0,0,0,0|1,1,0]=4 33 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,2,0,0,0,0|1,1,0]=4 34 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 T22404 [0,2,0,0,0,0|1,1,0]=4 35 B10R1.4 C[n+]1ccccc1\C=N\O T1111 [0,2,0,0,0,0|1,1,0]=4 36 B10R1.20 COc1ccccc1CN T1372 [0,2,0,0,0,0|0,1,0]=3 37 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|1,1,0]=4 38 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|1,1,0]=4 39 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,2,0,0,0,0|0,1,0]=3 40 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,2,0,0,0,0|0,1,0]=3 41 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,2,0,0,0,0|0,1,1]=4 42 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,2,0,0,0,0|1,0,1]=4 43 B10R1.61 O=C(O)c1ccccc1O T0649 [0,2,0,0,0,0|0,1,1]=4 44 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,2,0,0,0,0|0,1,1]=4 45 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,2,0,0,0,0|0,1,1]=4 46 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|1,1,0]=4 48 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [0,1,0,1,0,0|1,1,0]=4 49 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,1,0,1,0,0|0,1,0]=3 50 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,1,0|0,0,1]=3 51 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,1,0|2,0,0]=4