0 B8R1.7 CC(=O)C1=CNN=C1 SPC-h422 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(C)N1C=CC=N1 SPC-s737 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 N=C(N)C1=NC=CN1 SPC-k118 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 N=C(N)C1=NC=CN1 SPC-k119 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 N=C(N)C1=NC=CS1 SPC-h163 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 O=C(O)C1=NNC=C1 SPC-g199 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 N#CC1=NC=CN1 SPC-h841 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 N#CC1=NC=CN1 SPC-m914 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 NCC1=NC=CS1 SPC-m756 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.1 O=CC1=CC=NN1 SPC-p008 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 O=CC1=CN=CS1 SPC-s113 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 O=CC1=COC=N1 SPC-m897 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 O=CC1=CSC=C1 SPC-g519 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 O=CC1=NC=CN1 SPC-n997 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 O=CC1=NC=CS1 SPC-s112 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [0,1,0,0,0,0|1,0,1]=3 21 B9R1.11 COC(=O)C1=CNC=N1 SPC-k809 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.11 COC(=O)C1=NC=CN1 SPC-n423 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.11 COC(=O)C1CC=CC1 SPC-n455 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.19 CC(C)(C)C1=NC=CN1 SPC-i618 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.35 CC(=O)C1=CC(N)=NN1 SPC-n888 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.35 CC(=O)C1=CN=C(N)S1 SPC-n879 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 CC(=O)C1=CSC(Cl)=C1 SPC-h825 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 CC(=O)C1=NC=C(Br)S1 SPC-j787 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.35 CC(=O)N1C=C(I)C=N1 SPC-g604 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.35 CC(C)C1=NC=C(Br)S1 SPC-t410 [0,1,0,0,0,0|1,0,1]=3 31 B9R1.35 CC1=CN=C(C(=O)[O-])O1 SPC-i906 [0,1,0,0,0,0|1,1,0]=3 32 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.35 CN1C=CC(C(=O)O)=N1 SPC-t579 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CN1C=NC(C(=O)O)=C1 SPC-j762 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 SPC-n667 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.35 FC(F)C1=NC=C(Br)S1 SPC-p644 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 NC(=O)C1=CC=C(Br)N1 SPC-m101 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.35 NC1=NC(C(=O)O)=CO1 SPC-k774 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SPC-g094 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.35 O=C(O)C1=CC=C(F)S1 SPC-j710 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.35 O=C(O)C1=CN=C(Br)S1 SPC-p181 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 O=C(O)C1=NC(Br)=CS1 SPC-k776 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.35 O=C(O)C1=NC=C(Br)S1 SPC-n181 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.41 CC(=O)C1=NC=CN1C SPC-h495 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.41 CN1C=CN=C1C(=N)N SPC-i684 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.41 NC(=O)C1=CC=CN1N SPC-r256 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.41 O=C(O)C1=C(Br)C=CS1 SPC-g312 [0,1,0,0,0,0|2,0,0]=3 48 B9R2.2 C1=CNC(C2CC2)=N1 SPC-h150 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [0,0,0,0,0,1|2,0,0]=3 50 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [0,0,0,0,0,1|1,0,0]=2 52 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [0,0,0,0,0,1|1,0,0]=2 53 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [0,0,0,0,0,1|2,0,0]=3 60 B9R1.13 O=C(O)CC1=NN=CN1 SPC-p063 [0,0,0,0,0,1|3,0,0]=4 61 B6R1.2 BrC1=NN=CS1 SPC-h716 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 CC1=COC=N1 SPC-n151 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=CSC=N1 SPC-g112 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 IC1=NC=CO1 SPC-m994 [2,0,0,0,0,0|1,1,0]=4 65 B6R1.2 NC1=NC=CN1 SPC-g069 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.1 CN1C=NC(C=O)=C1 SPC-h471 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.1 N#CC1=NC(Br)=CS1 SPC-r362 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.1 N#CC1=NC(Cl)=CS1 SPC-p523 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 N#CC1=NC=C(Br)S1 SPC-n180 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 NCC1=NC=C(Br)S1 SPC-r360 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 NCC1=NC=C(Cl)S1 SPC-t820 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.1 O=CC1=CC(Br)=CS1 SPC-t562 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.1 O=CC1=CN=C(Cl)S1 SPC-t705 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 O=CC1=NC=C(Br)S1 SPC-h584 [1,1,0,0,0,0|0,0,0]=2 75 B8R1.1 OCC1=NC(Br)=CS1 SPC-j950 [1,1,0,0,0,0|0,0,2]=4 76 B8R1.1 OCC1=NC=C(Br)S1 SPC-h007 [1,1,0,0,0,0|0,0,2]=4 77 B8R1.1 OCC1=NC=C(Cl)S1 SPC-j786 [1,1,0,0,0,0|0,0,2]=4 78 B8R1.8 N#CCC1=NC=CS1 SPC-p262 [1,1,0,0,0,0|0,0,2]=4 79 B8R1.8 NCCC1=NN=CS1 SPC-k729 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 SPC-v154 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 SPC-h078 [0,1,0,0,0,1|1,0,0]=3 82 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 SPC-m248 [0,1,0,0,0,1|1,0,0]=3 83 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SPC-h803 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 CC1=CN=C(C(=O)O)N=C1 SPC-h567 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.13 NC(=O)C1=NN=C(N)C=C1 SPC-r165 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 NC1=CN=C(C(=O)O)N=C1 SPC-t633 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 NC1=NN=C(C(=O)O)C=C1 SPC-h063 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 SPC-k216 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 SPC-g367 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 SPC-k975 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 O=C(O)C1=NC=C(F)C=N1 SPC-h700 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 SPC-j945 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SPC-g471 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [0,1,0,0,0,1|1,0,0]=3 104 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.15 O=C(CBr)C1=NC=CC=N1 SPC-r240 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 SPC-n890 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.61 CC(=O)C1=NC=CN=C1Cl SPC-m051 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SPC-g617 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 CC1=CN=CN=C1C(=O)O SPC-t697 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 CC1=NC=CN=C1C(=O)O SPC-j734 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-p487 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 NC(=O)C1=C(N)C=CN=C1 SPC-s982 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 NC1=C(C(=O)O)C=NC=C1 SPC-g169 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 SPC-t006 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.61 O=C(O)C1=C(F)C=NC=N1 SPC-t058 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.61 O=C(O)C1=NC=CN=C1Cl SPC-j425 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.61 O=C(O)C1=NC=CN=C1O SPC-g411 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SPC-g746 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.113 CC1=CC(C(=O)O)=NC=N1 SPC-m029 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 CC1=CC(C(=O)O)=NN=C1 SPC-m730 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 CC1=CC=NC(C(=O)O)=N1 SPC-k969 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 SPC-p214 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 SPC-m628 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SPC-g504 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SPC-g633 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 SPC-h274 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SPC-g694 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 SPC-m984 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 SPC-g574 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SPC-g433 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SPC-k816 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SPC-t005 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SPC-m662 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 SPC-u508 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 SPC-m710 [0,1,0,0,0,1|1,0,0]=3 149 B10R1.11 CCOC(=O)C1=CC=CN1 SPC-n377 [0,2,0,0,0,0|1,0,1]=4 150 B10R1.11 CCOC(=O)C1=COC=N1 SPC-g401 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.11 CCOC(=O)C1=NOC=C1 SPC-g943 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.14 COC(=O)C1=CC(Br)=CN1 SPC-g315 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.14 COC(=O)C1=CC(Br)=CS1 SPC-j659 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.14 COC(=O)C1=CC(Cl)=CS1 SPC-k813 [0,2,0,0,0,0|1,0,0]=3 155 B10R1.14 COC(=O)C1=CC=C(Br)S1 SPC-j660 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [0,2,0,0,0,0|1,1,0]=4 157 B10R1.14 COC(=O)C1=CN(C)C=N1 SPC-m489 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.14 COC(=O)C1=COC(N)=N1 SPC-q996 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.14 COC(=O)C1=NC(Br)=CS1 SPC-n439 [0,2,0,0,0,0|0,0,0]=2 160 B10R1.14 COC(=O)C1=NC=C(Br)S1 SPC-j955 [0,2,0,0,0,0|0,0,0]=2 161 B10R1.14 COC(=O)C1=NC=C(C)O1 SPC-n447 [0,2,0,0,0,0|0,1,0]=3 162 B10R1.14 COC(=O)C1=NN(C)C=C1 SPC-h234 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.14 COC(=O)C1=NNC(Cl)=C1 SPC-m488 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.149 COC(=O)C1=C(Br)C=CN1 SPC-h459 [0,2,0,0,0,0|1,0,1]=4 165 B10R1.149 COC(=O)C1=C(Br)C=CS1 SPC-q115 [0,2,0,0,0,0|1,0,0]=3 166 B10R1.149 COC(=O)C1=C(C)C=CN1 SPC-m282 [0,2,0,0,0,0|1,0,1]=4 167 B10R1.149 COC(=O)C1=C(Cl)C=CN1 SPC-h158 [0,2,0,0,0,0|1,0,1]=4 168 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-n432 [0,2,0,0,0,0|1,1,0]=4 169 B10R1.149 COC(=O)C1=C(N)C=CO1 SPC-q853 [0,2,0,0,0,0|1,1,0]=4 170 B10R1.149 COC(=O)C1=NNC=C1F SPC-r133 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.149 COC(=O)C1=NNC=C1N SPC-h915 [0,2,0,0,0,0|2,0,0]=4 172 B8R1.4 CC1=CC(Br)=CN=C1 SPC-g551 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.4 CC1=CC(O)=CN=C1 SPC-t060 [0,0,1,1,0,0|1,1,0]=4 174 B8R1.5 CC1=CC=CN=C1Br SPC-g509 [0,0,1,1,0,0|2,0,0]=4 175 B8R1.5 CC1=CC=CN=C1Cl SPC-k262 [0,0,1,1,0,0|2,0,0]=4 176 B8R1.5 CC1=NC=CN=C1N SPC-s947 [0,0,1,1,0,0|2,0,0]=4 177 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [1,0,0,0,0,1|1,0,0]=3 178 B8R1.2 O=CC1=CN=CN=C1 SPC-j129 [1,0,0,0,0,1|2,0,0]=4 179 B8R1.2 O=CC1=CN=NC=C1 SPC-n491 [1,0,0,0,0,1|2,0,0]=4 180 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [1,0,0,0,0,1|1,0,0]=3 181 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [1,0,0,0,0,1|1,0,0]=3 182 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [0,0,0,0,0,2|2,0,0]=4 183 B10R1.66 O=C(O)\C=C\C1=CC=CS1 SPC-k420 [0,0,0,0,0,2|2,0,0]=4