0 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CN1C=C(C(=O)Cl)C=N1 B011574 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.35 NC(=O)C1=NNC(N)=C1 B046261 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,0,0|3,1,0]=4 17 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=NNC(C=O)=C1 B014001 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CN1C=C(C=O)C=N1 B000400 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 NC1=NC(CO)=CS1 B050737 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,0,0|0,1,0]=2 28 B8R1.7 NC(=O)C1=CNN=C1 B037919 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 NC(=O)C1=NNC=C1 B039302 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=NNC=N1 B048959 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 O=C(O)C1=NON=C1 B050168 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.7 O=C(O)C1=NSN=C1 B049226 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.14 COC(=O)C1=CC(C)=NN1 B024667 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,0,0|2,1,0]=4 40 B10R1.14 COC(=O)C1=CN(C)N=C1 B051307 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1=NNC(N)=C1 B022624 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.14 COC(=O)C1=NNC(N)=C1 B051754 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.14 COC(=O)C1=NOC(C)=C1 B007472 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.31 CCN1C=C(C(=O)O)C=N1 B000230 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.31 O=C(O)C1=NOC(CO)=C1 B050339 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 B030024 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 B013525 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.59 CC1=NN(C)C=C1C(=O)O B000228 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.59 CN1C=C(C(=O)O)C(Br)=N1 B059852 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.59 CN1C=C(C(=O)O)C(I)=N1 B059950 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.59 CN1C=C(C(=O)O)C(N)=N1 B051780 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.59 CN1N=C(N)C=C1C(=O)O B024383 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.59 CN1N=C(N)C=C1C(=O)O B037119 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.59 NC(=O)C1=C(N)SC(=S)N1 B049037 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.194 CC1=C(Br)C(C(=O)O)=NO1 B047202 [0,1,0,0,0,0|2,1,0]=4 63 B10R1.194 CC1=C(C(=O)O)C=NN1C B000215 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 B022861 [0,1,0,0,0,0|2,1,0]=4 66 B10R1.194 CC1=C(I)C(C(=O)O)=NN1 B047695 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.194 CC1=C(N)C(C(=O)O)=NN1 B051118 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.194 CC1=NNC(C(=O)O)=C1Br B051760 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.194 CC1=NOC(C(=O)O)=C1C B036561 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.194 CN1N=CC(C(=O)O)=C1Br B059862 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.194 CN1N=CC(C(=O)O)=C1F B052500 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.194 CN1N=CC(C(=O)O)=C1N B062606 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.194 NC1=C(Br)C(C(=O)O)=NN1 B051719 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.194 NC1=NNC(C(=O)O)=C1Cl B007339 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.194 NC1=NNC(C(=O)O)=C1Cl B036177 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.194 NC1=NNC(C(=O)O)=C1I B047725 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.194 O=C(O)C1=C(Br)C(Br)=NN1 B013526 [0,1,0,0,0,0|2,1,0]=4 78 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.54 CC1=CC(CC(=O)O)=NN1 B050171 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.54 O=C(O)CC1=CC(=O)NN1 B050599 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,0,0,0,0,1|2,1,0]=4 82 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.54 O=C(O)CN1C=NC(Cl)=N1 B051934 [0,0,0,0,0,1|3,0,0]=4 84 B7R1.1 C(=O)C1=CC=NN1 B039168 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 O=CC1=CNN=C1 B015969 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 O=CC1=CNN=C1 B039241 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.22 CC1=CC(C=O)=C(C)S1 B018517 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.11 COC(=O)C1=CC=CN1 B049814 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.11 COC(=O)C1=CC=NN1 B016176 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.11 COC(=O)C1=CC=NO1 B038949 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.11 COC(=O)C1=CNN=C1 B030267 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.19 O=S(=O)(Cl)C1=CSC=C1 B046188 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.41 CN1N=CC=C1C(=O)O B000141 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [1,1,0,0,0,0|1,0,0]=3 95 B9R1.41 NC(=O)C1=NSC=C1N B050218 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.41 NC1=CNN=C1C(=O)O B036422 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.41 NC1=CNN=C1C(=O)O B047686 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.41 NC1=CSN=C1C(=O)O B049586 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.41 NC1=NNC=C1C(=O)O B007340 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.41 O=C(O)C1=NNC=C1I B006484 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,1,0,0,0,1|1,1,0]=4 112 B11R1.44 CCC1=CC(C(=O)NN)=CS1 B007502 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.44 CCC1=CC(C(=O)OC)=CS1 B035760 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.44 COC(=O)C1=CN(CCl)N=C1 B020906 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 B000748 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.124 CCCC1=CC(C(=O)O)=CS1 B007506 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.124 O=C(O)C1=CN(CCCl)N=C1 B050867 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 B007509 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.673 CC1=C(C)C(C(N)=O)=C(N)S1 B000687 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.64 CCC1=C(C)SC=C1C(=O)O B007493 [0,2,0,0,0,0|1,0,0]=3 121 B9R1.13 O=C(O)CN1C=CN=C1 B039463 [1,0,0,0,0,1|2,0,0]=4 122 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 B020864 [0,0,0,0,0,2|2,0,0]=4