0 B7R1.1 COc1ccoc1 TN2959 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,0,0|1,0,1]=3 2 B6R1.2 Cc1cn[nH]c1 T0765 [1,0,0,0,0,0|3,0,0]=4 3 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,0,0|3,0,0]=4 4 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|2,1,0]=4 5 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,0,0,0|0,1,1]=3 6 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,0,0,0|0,2,1]=4 7 B8R1.1 NCc1cc(=O)[nH]o1 T20657 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.1 NCc1cc(=O)[nH]s1 T28965 [0,1,0,0,0,0|2,1,0]=4 9 B8R1.7 CC(=O)c1cccs1 T29331 [0,1,0,0,0,0|0,2,1]=4 10 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,1,0,0,0,0|1,1,1]=4 11 B8R1.7 OC(=O)c1ccco1 T5544 [0,1,0,0,0,0|0,1,1]=3 12 B8R1.8 NCCC1=CSC=N1 T29422 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.8 NCCc1c[nH]cn1 T0965 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.8 NCCc1c[nH]cn1 T6535 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.8 NCCc1cc[nH]n1 T8599 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.8 NCCc1cnc[nH]1 T6534 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 CC/C=C\CCO T22295 [0,0,1,0,0,0|1,0,2]=4 18 B6R0.6 CCC/C=C/C=O T8099 [0,0,1,0,0,0|1,0,2]=4 19 B6R0.6 CCC/C=C/CO TN5162 [0,0,1,0,0,0|1,0,2]=4 20 B8R1.2 COc1cnccn1 TN6755 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.2 N#Cc1ncccn1 T7451 [0,0,0,0,0,1|2,0,1]=4 22 B8R1.2 NCc1ccccc1 TN3497 [0,0,0,0,0,1|2,0,0]=3 23 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,1|2,0,0]=3 24 B8R1.2 O=Cc1ccccc1 TWO2659 [0,0,0,0,0,1|1,1,1]=4 25 B8R1.2 OCc1ccccc1 T0732 [0,0,0,0,0,1|1,1,0]=3 26 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,1|1,1,0]=3 27 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,1|1,1,0]=3 28 B5R0.1 C/C=C/C(O)=O T5301 [1,0,1,0,0,0|0,1,1]=4 29 B5R0.1 ClC(Cl)=CC=C T31434 [1,0,1,0,0,0|2,0,0]=4 30 B5R0.3 C=CC(=O)C=C T31538 [1,0,1,0,0,0|1,1,0]=4 31 B5R0.3 CCC(O)C=C TN6958 [1,0,1,0,0,0|1,0,1]=4 32 B5R1.1 C1CC=CO1 T0654 [2,0,0,0,0,0|0,0,2]=4 33 B5R1.1 c1cc[cH-]c1 T20786 [2,0,0,0,0,0|1,0,0]=3 34 B5R1.1 c1cn[nH]c1 T4842 [2,0,0,0,0,0|2,0,0]=4 35 B5R1.1 c1cnoc1 T7500 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,1,1,0,0,0|1,0,1]=4 37 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,1,0,0,0,0|0,0,1]=3 38 B7R1.2 CC1=CCC(=O)O1 T7995 [1,1,0,0,0,0|0,0,1]=3 39 B7R1.2 Cc1cc(N)no1 T0644 [1,1,0,0,0,0|1,0,0]=3 40 B7R1.2 Cn1ccc(N)n1 T3295 [1,1,0,0,0,0|2,0,0]=4 41 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,1,0,0,0,0|1,1,0]=4 42 B7R1.4 Cn1ccnc1S T0840 [1,1,0,0,0,0|2,0,0]=4 43 B7R1.4 Cn1sccc1=O T19774 [1,1,0,0,0,0|1,1,0]=4 44 B7R1.4 Cn1sccc1=O T28029 [1,1,0,0,0,0|1,1,0]=4 45 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.1 NCc1ccc(O)cc1 T21095 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.1 OCc1ccc(O)cc1 T3752 [0,1,0,0,0,1|1,1,0]=4 48 B9R1.1 OCc1ccc(cn1)O T40502 [0,1,0,0,0,1|1,1,0]=4 49 B9R1.2 CCc1cccc(N)c1 T21169 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.2 CCc1cccc(O)c1 T21170 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,1,0,0,0,1|2,0,0]=4 53 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [0,1,0,0,0,1|1,1,0]=4 55 B9R1.2 OCc1cccc(I)c1 T21214 [0,1,0,0,0,1|1,1,0]=4 56 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,1|1,1,0]=4 57 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,1|1,1,0]=4 58 B9R1.8 CCOc1ccccc1 T19753 [0,1,0,0,0,1|2,0,0]=4 59 B9R1.8 CNCc1ccccc1 T8016 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,0,0,1|2,0,0]=4 62 B9R1.8 NCCc1ccccn1 T22501 [0,1,0,0,0,1|2,0,0]=4 63 B9R1.8 O=CCc1ccccc1 TCS1857 [0,1,0,0,0,1|1,1,0]=4 64 B9R1.8 OCCc1ccccc1 T0011 [0,1,0,0,0,1|1,1,0]=4 65 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,0,0,1|1,1,0]=4 66 B9R1.15 NCc1ccccc1O T41358 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,1|1,1,0]=4 68 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,2,0,0,0,0|0,1,0]=3 69 B9R1.11 COC(=O)c1ccco1 T8022 [0,2,0,0,0,0|0,1,1]=4 70 B9R1.19 CC(C)(C)c1cccs1 T29375 [0,2,0,0,0,0|1,1,0]=4 71 B9R1.41 CC(=O)c1occc1O T32217 [0,2,0,0,0,0|0,1,1]=4