0 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.89 COC1=C(C(=O)C(C)C)C=CC=C1 N13989 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.89 COC1=C(C(N)C(C)O)C=CC=C1 N15587 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.89 COC1=C([C@@H](N)C(C)O)C=CC=C1 N15586 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.89 COC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15583 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.89 COC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15585 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.89 COC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15582 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.91 CC[C@H](N)CC1=C(OC)C=CC=C1 N14517 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.91 CN[C@@H](C)CC1=C(OC)C=CC=C1 N10866 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.91 COC(=O)CC1=NC=CC=C1OC 82614 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 N11311 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.72 CC(C)[C@@H]1CNC2=C1C=CC=C2 S10855 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.53 CSC1=NC=CN=C1C(C)C F18029 [0,0,0,0,1,0|0,1,0]=2 21 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.4 CCNC1=CC=CN=C1O F30124 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.20 COC1=CC=CN=C1CCl 27916 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.20 COC1=NC=CC=C1CN 36590 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.20 COC1=NC=CN=C1C=O P10873 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.20 COC1=NC=CN=C1CN C71765 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=N1 N14894 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.77 CC[C@H](O)C1=C(OC)C=CC=C1 N14415 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.77 COC1=C([C@@H](N)CO)N=CC=C1 N14895 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.124 CC1=CC=CN=C1C(=O)C(C)C N12211 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13862 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13863 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13867 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13868 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13869 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.151 CC1=CC=CN=C1NC(C)(C)C 78293 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.224 CC1=C(I)C=CN=C1OC(C)C 96429 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.46 COC1=NC=C(F)C=C1[C@H](C)N Y13430 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.93 COC1=C(CNC(C)(C)C)C=CC=C1 C78519 [0,1,0,0,0,1|2,0,0]=4 48 B14R1.840 COC1=C([C@@H](N)CC(C)C)C=CC=C1 N13002 [0,1,0,0,0,1|2,0,0]=4 49 B14R1.840 COC1=C([C@@H](N)CC(C)C)C=CC=C1 N14477 [0,1,0,0,0,1|2,0,0]=4 50 B14R1.840 COC1=C([C@@H](N)CC(C)C)C=CC=C1 N14478 [0,1,0,0,0,1|2,0,0]=4 51 B14R1.3135 COC1=C(CC(=O)C(C)C)C=CC=C1 N14174 [0,1,0,0,0,1|2,0,0]=4 52 B14R1.3135 COC1=C(C[C@H](N)C(C)C)C=CC=C1 N12962 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.1867 COC1=NC=C(F)C=C1[C@@H](N)C(C)C Y13436 [0,2,0,0,0,0|1,0,0]=3 54 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.2048 COC1=C(C2CC2)C=CC=C1 AC8615 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,0,0,1,1,0|2,0,0]=4 59 B12R2.120 CC1(C)COC2=CC=NN2C1 AT11023 [0,0,0,1,1,0|1,0,0]=3 60 B14R2.3348 COC1=C([C@@H](N)C2CC2)C=CC=C1 F53797 [0,1,0,1,0,0|2,0,0]=4 61 B14R2.2966 COC1=C(C2CC2CO)C=CC=C1 AT16399 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.5 CNCC1=CSN=C1OC AT21061 [1,0,0,0,1,0|2,0,0]=4 63 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [1,0,0,0,1,0|1,0,0]=3 64 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [1,0,0,0,1,0|1,0,0]=3 65 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [1,0,0,0,1,0|1,0,0]=3 66 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,0,0,0,1,0|2,0,0]=4 67 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [1,0,0,0,1,0|2,0,0]=4 68 B14R1.96 COC1=C(CCNC(C)C)C=CC=C1 C77957 [0,0,0,0,0,2|2,0,0]=4