0 B7R1.3 Cc1cnccn1 M28185 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 ClC1=NC=CN=C1 M11940 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 NC1=CC=NC=C1 M14717 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 NC1=NC=CN=N1 M22968 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 Nc1ccccc1 M19715 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 OC1=CC=CC=C1 M19463 [0,0,0,0,0,0|0,0,0]=0 6 B6R1.1 c1cncnc1 M19588 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 C=CC1=CC=CC=N1 M19493 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.2 COc1ccccc1 M20226 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.2 COc1cnccn1 M24247 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 N#Cc1ncccn1 M20858 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 NCC1=CC=CN=C1 M14288 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 NCc1ccccc1 M19712 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.2 O=CC1=CC=CC=C1 M17745 [0,1,0,0,0,0|0,0,1]=2 14 B8R1.2 OCC1=CC=CC=C1 M10041 [0,1,0,0,0,0|0,0,0]=1 15 B8R1.2 OCC1=CC=CC=N1 M15162 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 OCC1=CN=CC=C1 M10048 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.3 Cc1ccc(O)cc1 M19480 [0,1,0,0,0,0|0,0,0]=1 18 B8R1.3 Cc1ccc(O)cc1 M20004 [0,1,0,0,0,0|0,0,0]=1 19 B8R1.3 Cc1cnc(C)cn1 M19557 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.3 Clc1ccc(Cl)cc1 M20886 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.3 NC1=CC=C(F)C=C1 M19500 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.3 NC1=CC=C(O)C=C1 M19498 [0,1,0,0,0,0|0,0,0]=1 23 B8R1.3 Nc1ccc(Cl)nc1 M20685 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [0,1,0,0,0,0|0,0,1]=2 25 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.3 OC1=CC=C(O)C=C1 M19502 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.4 O=C1C=CNC(=O)N1 M15525 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.4 O=C1C=CNC(=S)N1 M11751 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.4 OC1=CC=CC(O)=C1 M19514 [0,1,0,0,0,0|0,0,0]=1 30 B8R1.4 Oc1cccc(O)n1 M19540 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.5 CC1=C(O)C=CC=N1 M23315 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.5 NC1=CC=CC=C1I M24615 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.5 Nc1ccccc1O M19714 [0,1,0,0,0,0|0,0,0]=1 34 B8R1.5 Nc1ccncc1N M18788 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.5 Nc1ncccc1O M21226 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.5 O=c1ccocc1O M21209 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.5 Oc1ccccc1O M19683 [0,1,0,0,0,0|0,0,0]=1 38 B8R1.5 On1ccccc1=S M26402 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.4 C=CCCC(=O)O M21389 [0,0,1,0,0,0|1,0,2]=4 40 B6R1.2 CC1=CNN=C1 M15874 [0,0,0,0,1,0|3,0,0]=4 41 B6R1.2 CN1C=CN=C1 M15328 [0,0,0,0,1,0|3,0,0]=4 42 B6R1.2 NC1=NC=CS1 M16867 [0,0,0,0,1,0|3,0,0]=4 43 B5R0.1 C\C=C\C(=O)O M19987 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.4 C\C=C\C=C\C(=O)O M21338 [0,1,1,0,0,0|1,0,0]=3 45 B7R0.4 C\C=C\C=C\C(=O)[O-] M19582 [0,1,1,0,0,0|1,0,1]=4 46 B7R0.6 NC(=O)\C=C/C(=O)O M19628 [0,1,1,0,0,0|2,0,0]=4 47 B7R0.6 O=C(O)\C=C/C(=O)O M19545 [0,1,1,0,0,0|2,0,0]=4 48 B7R0.6 O=C(O)\C=C\C(=O)O M17809 [0,1,1,0,0,0|2,0,0]=4 49 B7R0.6 O=C(O)\C=C\C(=O)O M18226 [0,1,1,0,0,0|2,0,0]=4 50 B7R1.1 O=Cc1ccco1 M20306 [0,1,0,0,1,0|1,0,1]=4 51 B7R1.2 O=C1C=CC(=O)N1 M19624 [0,1,0,0,1,0|1,0,1]=4 52 B9R1.5 O=C1C=CC=CC=C1O M21356 [0,1,0,0,0,1|0,0,0]=2 53 B9R1.1 C=Cc1ccc(O)cc1 M26541 [0,2,0,0,0,0|0,0,0]=2 54 B9R1.1 CCc1ccc(O)cc1 M20523 [0,2,0,0,0,0|0,0,0]=2 55 B9R1.1 COC1=CC=C(F)C=C1 M14546 [0,2,0,0,0,0|0,0,0]=2 56 B9R1.1 COC1=CC=C(O)C=C1 M12104 [0,2,0,0,0,0|0,0,0]=2 57 B9R1.1 NCc1ccc(O)cc1 M27368 [0,2,0,0,0,0|0,0,0]=2 58 B9R1.1 NNc1ccc(Cl)cc1 M17796 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [0,2,0,0,0,0|0,0,0]=2 60 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [0,2,0,0,0,0|0,0,0]=2 61 B9R1.1 OCc1ccc(O)cn1 M28306 [0,2,0,0,0,0|1,0,0]=3 62 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [0,2,0,0,0,0|1,0,0]=3 63 B9R1.2 NCc1ccnc(Cl)c1 M20701 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.2 O=Cc1cccc(O)c1 M19537 [0,2,0,0,0,0|0,0,0]=2 65 B9R1.2 OCc1cccc(O)c1 M19645 [0,2,0,0,0,0|0,0,0]=2 66 B9R1.2 [O-][N+]1=CC=CC(CO)=C1 M15672 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.6 CC(=O)c1ccccc1 M20888 [0,2,0,0,0,0|0,0,1]=3 68 B9R1.6 C[C@H](O)c1ccccc1 M19564 [0,2,0,0,0,0|0,0,0]=2 69 B9R1.6 N=C(N)c1ccccc1 M21570 [0,2,0,0,0,0|1,0,0]=3 70 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [0,2,0,0,0,0|0,0,1]=3 71 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [0,2,0,0,0,0|1,0,1]=4 74 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [0,2,0,0,0,0|1,1,0]=4 75 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [0,2,0,0,0,0|0,0,0]=2 76 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [0,2,0,0,0,0|1,0,0]=3 77 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.6 O=C(O)c1ccccn1 M19678 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.6 O=C(O)c1ccncc1 M22651 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.6 O=C([O-])c1ccccc1 M21192 [0,2,0,0,0,0|0,0,1]=3 81 B9R1.6 O=C([O-])c1ccccn1 M18036 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.6 O=[PH](O)c1ccccc1 M27267 [0,2,0,0,0,0|0,0,0]=2 83 B9R1.6 OB(O)c1ccccc1 M27962 [0,2,0,0,0,0|0,0,0]=2 84 B9R1.8 CCOC1=CC=CC=C1 M23245 [0,2,0,0,0,0|0,0,0]=2 85 B9R1.8 CNCc1ccccc1 M21326 [0,2,0,0,0,0|1,0,0]=3 86 B9R1.8 NCCc1ccccc1 M18943 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.8 NCCc1ccccc1 M20880 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.8 NCCc1ccccn1 M24275 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.8 O=CCC1=CC=CC=C1 M17893 [0,2,0,0,0,0|0,0,1]=3 90 B9R1.8 OCCC1=CC=CC=C1 M15237 [0,2,0,0,0,0|0,0,0]=2 91 B9R1.8 OCCC1=CC=CC=N1 M10186 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.8 O\N=C\c1ccccc1 M27255 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.15 COC1=CC=CC=C1O M16473 [0,2,0,0,0,0|0,0,0]=2 94 B9R1.15 NCc1ccccc1O M28366 [0,2,0,0,0,0|0,0,0]=2 95 B9R1.15 OCc1ccccc1O M16468 [0,2,0,0,0,0|0,0,0]=2 96 B9R1.69 CC1=C(Cl)C=CC(O)=C1 M19507 [0,2,0,0,0,0|0,0,0]=2 97 B9R1.69 Cc1cc(O)ccc1O M25013 [0,2,0,0,0,0|0,0,0]=2 98 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [0,2,0,0,0,0|1,0,0]=3 99 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [0,2,0,0,0,0|0,0,0]=2 100 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [0,2,0,0,0,0|0,0,0]=2 101 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [0,2,0,0,0,0|0,0,0]=2 102 B9R1.69 O=C1C=C(O)NC=C1Cl M10190 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [0,2,0,0,0,0|0,0,0]=2 104 B9R1.69 Oc1ccc(Cl)cc1Cl M20889 [0,2,0,0,0,0|0,0,0]=2 105 B9R1.3 CC1=CC=CC(C)=C1N M19499 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.3 Cc1cccc(O)c1O M18636 [0,2,0,0,0,0|0,0,0]=2 107 B9R1.3 Cc1occc(=O)c1O M20239 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.3 OC1=C(Br)C=CC=C1Br M28154 [0,2,0,0,0,0|0,0,0]=2 109 B9R1.3 OC1=CC=CC(O)=C1O M19211 [0,2,0,0,0,0|0,0,0]=2 110 B9R1.34 Cc1cc(O)cc(O)c1 M18670 [0,2,0,0,0,0|0,0,0]=2 111 B9R1.34 OC1=CC(O)=CC(O)=C1 M21843 [0,2,0,0,0,0|0,0,0]=2 112 B5R1.1 C1=CON=C1 M19338 [1,0,0,0,1,0|2,0,0]=4