0 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SPC-t172 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SPC-k195 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)CC1=NN=CC=C1 SPC-m727 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 COC(=O)CC1=CN=NC=C1 SPC-j127 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.40 COC(=O)CC1=NC=NC=C1 SPC-v636 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 SPC-p994 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 SPC-m411 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 SPC-h392 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 SPC-j673 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 SPC-j672 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 SPC-j671 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 SPC-v319 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 SPC-m552 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 SPC-m233 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl SPC-h279 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 SPC-r251 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 SPC-m690 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 SPC-q093 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 SPC-j626 [0,1,0,0,1,0|1,0,0]=3 24 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 SPC-g677 [0,1,0,0,1,0|2,0,0]=4 25 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 SPC-m721 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 SPC-j621 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 SPC-t177 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 SPC-q022 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 SPC-g193 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 SPC-u710 [0,1,0,0,1,0|2,0,0]=4 31 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SPC-g544 [0,1,0,0,0,1|1,0,0]=3 32 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [1,0,0,1,0,0|1,0,1]=4 35 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [1,0,0,1,0,0|1,0,1]=4 36 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [1,0,0,1,0,0|1,0,1]=4 37 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SPC-p109 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 SPC-u386 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 SPC-k872 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 SPC-p420 [0,1,0,1,0,0|1,0,0]=3 46 B14R2.296 O=C1CCC[C@@H]1C2=C(Cl)C=CC=C2 SPC-p072 [0,1,0,1,0,0|1,0,0]=3 47 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [1,0,0,0,1,0|2,0,0]=4 48 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [1,0,0,0,1,0|2,0,0]=4 49 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [1,0,0,0,1,0|2,0,0]=4 50 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [1,0,0,0,1,0|2,0,0]=4 51 B10R1.11 CCOC(=O)C1=CC=CN1 SPC-n377 [0,0,0,0,2,0|1,0,0]=3 52 B10R1.11 CCOC(=O)C1=CC=NN1 SPC-g673 [0,0,0,0,2,0|2,0,0]=4 53 B10R1.11 CCOC(=O)C1=CN=CO1 SPC-p990 [0,0,0,0,2,0|2,0,0]=4 54 B10R1.11 CCOC(=O)C1=CNN=C1 SPC-g213 [0,0,0,0,2,0|2,0,0]=4 55 B10R1.11 CCOC(=O)C1=COC=N1 SPC-g401 [0,0,0,0,2,0|2,0,0]=4 56 B10R1.11 CCOC(=O)C1=CON=C1 SPC-i576 [0,0,0,0,2,0|2,0,0]=4 57 B10R1.11 CCOC(=O)C1=NOC=C1 SPC-g943 [0,0,0,0,2,0|2,0,0]=4