0 B10R1.58 CN1N=C(C(=O)O)C=C1N SPC-k111 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN=C(N)S1 SPC-n879 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.35 CC(=O)C1=CSC(Cl)=C1 SPC-h825 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.35 CC(=O)C1=NC=C(Br)S1 SPC-j787 [1,0,0,0,0,0|2,1,0]=4 4 B9R1.35 CC1=CN=C(C(=O)[O-])O1 SPC-i906 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.35 CC1=NNC(C(=O)O)=C1 SPC-k758 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CN1C=C(C(=O)O)C=N1 SPC-g547 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CN1C=CC(C(=O)O)=N1 SPC-t579 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CN1C=NC(C(=O)O)=C1 SPC-j762 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 SPC-n667 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 NC(=O)C1=CC=C(Br)N1 SPC-m101 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.35 NC1=NC(C(=O)O)=CO1 SPC-k774 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SPC-g094 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.35 O=C(O)C1=CC=C(F)S1 SPC-j710 [1,0,0,0,0,0|0,1,0]=2 15 B9R1.35 O=C(O)C1=CN=C(Br)S1 SPC-p181 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 O=C(O)C1=CSC(Br)=C1 SPC-t048 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.35 O=C(O)C1=CSC(Cl)=C1 SPC-j712 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.35 O=C(O)C1=NC(Br)=CS1 SPC-k776 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 O=C(O)C1=NC=C(Br)S1 SPC-n181 [1,0,0,0,0,0|1,1,0]=3 20 B11R1.79 NS(=O)(=O)C1=CC(Cl)=C(Cl)S1 SPC-t914 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl SPC-g222 [0,0,0,0,0,1|2,0,1]=4 22 B11R1.21 CC1=NC=C(C(=O)O)C=C1N SPC-m181 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.21 CN1C=C(C(=O)O)C=CC1=O SPC-j150 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.21 CN1C=CC(C(=O)O)=CC1=O SPC-g869 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 SPC-n109 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br SPC-j257 [0,0,0,0,0,1|2,1,0]=4 27 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 SPC-t585 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 SPC-t067 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 SPC-m316 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 SPC-s862 [0,0,0,0,0,1|1,0,0]=2 31 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 SPC-m595 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 SPC-m327 [0,0,0,0,0,1|2,1,0]=4 33 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=N1 SPC-t774 [0,0,0,0,0,1|2,0,0]=3 34 B8R1.1 CC1=CC(C=O)=CS1 SPC-k319 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.1 CN1C=NC(C=O)=C1 SPC-h471 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.1 NCC1=CC=C(Cl)S1 SPC-r372 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.1 O=CC1=CC(Br)=CS1 SPC-t562 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.1 O=CC1=CN=C(Cl)S1 SPC-t705 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.1 O=CC1=CSC(Cl)=C1 SPC-j711 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.1 O=CC1=NC=C(Br)S1 SPC-h584 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.1 OCC1=CC=C(Cl)S1 SPC-j709 [2,0,0,0,0,0|0,0,1]=3 42 B8R1.1 OCC1=CC=C(F)S1 SPC-m162 [2,0,0,0,0,0|0,1,1]=4 43 B8R1.1 OCC1=NC=C(Cl)S1 SPC-j786 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.7 O=C(O)C1=NNC=C1 SPC-g199 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.14 COC(=O)C1=CC(Br)=CN1 SPC-g315 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.14 COC(=O)C1=CC(Br)=CS1 SPC-j659 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.14 COC(=O)C1=CC(Cl)=CS1 SPC-k813 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.14 COC(=O)C1=CC=C(Br)S1 SPC-j660 [1,1,0,0,0,0|0,1,0]=3 52 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [1,1,0,0,0,0|1,1,0]=4 53 B10R1.14 COC(=O)C1=CN(C)C=N1 SPC-m489 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.14 COC(=O)C1=CSC(Cl)=C1 SPC-k869 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.14 COC(=O)C1=NC(Br)=CS1 SPC-n439 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 COC(=O)C1=NC=C(Br)S1 SPC-j955 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.14 COC(=O)C1=NC=C(C)O1 SPC-n447 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SPC-g754 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.194 CC1=CNC(C(=O)O)=C1C SPC-h485 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 SPC-u160 [0,1,0,0,0,1|1,1,0]=4 61 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 SPC-r180 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 SPC-m143 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F SPC-t528 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.893 O=C(O)C1=CN=C(Cl)C(F)=C1Cl SPC-p463 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 SPC-m430 [0,1,0,0,0,1|1,1,0]=4 66 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 SPC-g450 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.511 NC1=CC(Cl)=NC(C(=O)O)=C1Cl SPC-u355 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.113 CC1=CC(C(=O)O)=NC=N1 SPC-m029 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [0,0,1,1,0,0|1,0,1]=4 70 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 SPC-m984 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.54 CN1C=NC(CC(=O)O)=C1 SPC-q884 [1,0,0,0,0,1|2,0,0]=4 72 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 SPC-m710 [1,0,0,0,0,1|2,0,0]=4 73 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O SPC-r168 [0,0,0,0,0,2|2,0,0]=4 74 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 SPC-g090 [0,0,0,0,0,2|2,0,0]=4