0 B8R1.2 N#Cc1ncccn1 T7451 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.2 OCC1=CC=CC=C1 T0732 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,0|1,0,2]=3 6 B7R1.3 CC1=NC=CC=C1 T21323 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,0|0,0,2]=3 13 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.2 O=Cc1cccc(O)c1 T4778 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,0|0,0,2]=3 17 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.6 CC(=O)c1ccccc1 T7446 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.6 CC(=O)c1cnccn1 T5596 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,0|0,0,2]=3 21 B9R1.6 N=C(N)c1ccccc1 T8362 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.6 NC(=O)c1cnccn1 T1426 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [0,1,0,0,0,0|1,1,0]=3 28 B9R1.6 O=C(O)c1ccccc1 T0833 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.6 O=C(O)c1ccccn1 T4850 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.6 O=C(O)c1cccnc1 T0879 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.6 O=C(O)c1cnccn1 T0569 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,1,0,0,0,0|0,0,0]=1 34 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,1,0,0,0,0|0,0,2]=3 40 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.15 COc1ccccc1O T1301 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.15 COc1ccccc1O T3267 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,0|0,0,2]=3 44 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.4 Oc1cccc(O)n1 T4720 [1,1,0,0,0,0|1,0,1]=4 48 B8R1.5 Nc1ccncc1N T4497 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,1]=4 50 B8R1.5 O=c1ccocc1O TL0015 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.5 ON1C=CC=CC1=S T12593 [1,1,0,0,0,0|1,0,1]=4 52 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,1,0|1,0,0]=3 53 B8R1.7 O=C(O)c1ccco1 T5544 [0,1,0,0,1,0|1,0,0]=3 54 B8R1.7 O=C(O)c1ccoc1 T5277 [0,1,0,0,1,0|1,0,0]=3 55 B8R1.7 O=C(O)c1cnsc1 T4675 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,2,0,0,0,0|1,0,1]=4 59 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|0,0,2]=4 61 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,2,0,0,0,0|0,0,0]=2 62 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,2,0,0,0,0|0,0,0]=2 63 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,2,0,0,0,0|0,0,0]=2 64 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,2,0,0,0,0|0,0,0]=2 68 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|0,0,0]=2 72 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [0,2,0,0,0,0|1,0,1]=4 74 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,2,0,0,0,0|0,0,0]=2 78 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,2,0,0,0,0|0,0,0]=2 80 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,2,0,0,0,0|0,0,0]=2 82 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,2,0,0,0,0|0,0,0]=2 83 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.15 COC(=O)c1cccnc1 T5562 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.15 N=C(NO)c1ccccn1 T20580 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.15 NCC(O)c1ccccc1 T4873 [0,2,0,0,0,0|0,0,2]=4 87 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.15 OCC(O)c1ccccc1 T1346 [0,2,0,0,0,0|0,0,2]=4 91 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,2,0,0,0,0|0,0,0]=2 93 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,2,0,0,0,0|0,0,0]=2 94 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,2,0,0,0,0|0,0,0]=2 95 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.61 O=C(O)c1ccccc1O T0649 [0,2,0,0,0,0|0,0,0]=2 97 B10R1.61 O=C(O)c1ncccc1O T5986 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,2,0,0,0,0|0,0,0]=2 99 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,2,0,0,0,0|0,0,0]=2 100 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 T22404 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.4 C[n+]1ccccc1\C=N\O T1111 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.17 NNCCc1ccccc1 T12441 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [0,2,0,0,0,0|0,0,0]=2 104 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [0,2,0,0,0,0|0,0,0]=2 105 B10R1.17 OCCCC1=CC=CC=C1 T3754 [0,2,0,0,0,0|0,0,2]=4 106 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [0,2,0,0,0,0|0,0,1]=3 107 B10R1.17 S=C=NCc1ccccc1 T1082 [0,2,0,0,0,0|0,1,1]=4 108 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,2,0,0,0,0|0,0,0]=2 109 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.20 COc1ccccc1CN T1372 [0,2,0,0,0,0|1,0,1]=4 111 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T20536 [0,1,0,1,0,0|1,1,0]=4 112 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [0,1,0,1,0,0|0,0,2]=4 113 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,1,0|0,0,2]=4