0 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 SPC-u454 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.21 CC1=NC=C(C(=O)O)C=C1N SPC-m181 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.21 CN1C=C(C(=O)O)C=CC1=O SPC-j150 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.21 CN1C=CC(C(=O)O)=CC1=O SPC-g869 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 SPC-n109 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)N=C1 SPC-t585 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=N1 SPC-t067 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 SPC-m316 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 SPC-u326 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.266 COC1=CC(C(=O)O)=CN=N1 SPC-p817 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 COC1=CC(C=O)=CN=C1F SPC-u826 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)N=C1 SPC-g208 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=N1 SPC-t228 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 SPC-u796 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 SPC-r022 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 SPC-u369 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.3091 COC1=C(CO)C=CC(C(=O)O)=C1 SPC-k709 [0,1,0,0,0,0|0,0,0]=1 17 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 SPC-g561 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 SPC-m867 [0,0,0,1,0,0|1,0,1]=3 19 B10R1.13 NC(=O)C1=NC=C(O)C=C1 SPC-u527 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.13 O=C(O)C1=NN=C(O)C=C1 SPC-g471 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.13 OB(O)C1=CC=C(O)C=C1 SPC-s693 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SPC-g513 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.113 CC1=CC(C(=O)O)=CN=N1 SPC-v546 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.113 CC1=CC(C(=O)O)=NC=N1 SPC-m029 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.113 CC1=CC(C(=O)O)=NN=C1 SPC-m730 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.113 CC1=CC=NC(C(=O)O)=N1 SPC-k969 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SPC-g504 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SPC-g233 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.113 NC1=NC=CC(C(=O)O)=C1 SPC-g225 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SPC-s846 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 SPC-g633 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SPC-g694 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SPC-g630 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SPC-t071 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 SPC-g340 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SPC-g433 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SPC-k816 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 SPC-t005 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.113 O=C(O)C1=NC=CC(I)=C1 SPC-m662 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 CC1=C(F)C=CC(C=O)=N1 SPC-n216 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 SPC-t001 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.172 COC1=CC(C=O)=CN=C1 SPC-g844 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 COC1=NC=CC(C=O)=C1 SPC-h062 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 SPC-u160 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 SPC-r180 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F SPC-h458 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 SPC-t211 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 SPC-h086 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 SPC-t430 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 SPC-m075 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 SPC-n444 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 SPC-t463 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 SPC-m143 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 SPC-n442 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F SPC-m953 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F SPC-t528 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 SPC-m544 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SPC-t418 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.440 COC1=CC=CC(C(=O)O)=C1N SPC-j946 [1,1,0,0,0,0|0,0,0]=2 68 B12R1.453 COC1=CC(B(O)O)=C(F)C=C1 SPC-k213 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.453 COC1=CC(C(=O)O)=C(N)C=N1 SPC-t027 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.453 COC1=CN=C(Cl)C(C(=O)O)=C1 SPC-m975 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 SPC-p575 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.1864 COC(=O)C1=CC(OC)=C(CO)C=C1 SPC-p893 [0,2,0,0,0,0|0,0,0]=2 73 B14R2.24358 CN1N=CC2=C1C=C(C(=O)O)C=C2 SPC-j310 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.24358 O=C(O)C1=CC2=C(C=C1)COC2=O SPC-n482 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.8824 O=C(O)C1=CC(Br)=C2OC=CC2=C1 SPC-t088 [0,1,0,1,0,0|1,0,1]=4 76 B14R2.601 CN1C=C2C=C(C(=O)O)C=CC2=N1 SPC-j307 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.601 CN1C=C2C=CC(C(=O)O)=CC2=N1 SPC-h300 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.601 O=C1NC2=C(C=C(C(=O)O)C=C2)O1 SPC-v408 [0,1,0,1,0,0|1,0,1]=4 79 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 SPC-i110 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.194 CC1=CNC(C(=O)O)=C1C SPC-h485 [1,0,0,0,1,0|2,0,0]=4 81 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,0,0,0,1,1|2,0,0]=4