0 B12R2.252 O=C(O)C1=CC2=C(CCC2)N1 CS-0030015 [0,0,0,0,0,0|1,0,2]=3 1 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 CS-0093690 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 CS-W018966 [0,1,0,0,0,0|0,1,0]=2 3 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS-0201638 [0,0,1,0,0,0|0,1,2]=4 4 B11R1.35 [C@@H](N)(CC1=CC=CO1)C(=O)O CS-0043946 [0,0,1,0,0,0|0,0,2]=3 5 B11R1.90 O=C(O)\C=C\C1=C(Br)C=CO1 CS-0675360 [0,0,1,0,0,0|1,0,0]=2 6 B13R2.430 CC(=O)C1=CC=C2N=COC2=C1 CS-0637491 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 CC(=O)C1=CC=C2OC=NC2=C1 CS-0637492 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 O=C(O)C1=CN2C=CC=C2C=N1 CS-0319765 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 O=C(O)C1=CN=C2N=CSC2=C1 CS-0527195 [0,0,0,0,0,1|1,1,1]=4 10 B13R2.430 O=C(O)C1=CN=C2NC=CC2=N1 CS-0504566 [0,0,0,0,0,1|1,0,1]=3 11 B13R2.435 O=C(O)C1=CC2=C(CCOC2)N1 CS-0654164 [0,0,0,0,0,1|0,0,2]=3 12 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 CS-0019267 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)S1 CS-0058164 [0,0,0,0,0,1|2,0,1]=4 14 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CS-0181800 [1,0,1,0,0,0|1,0,0]=3 15 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0059340 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0138454 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.66 O=C(O)\C=C\C1=CN=CS1 CS-0373319 [1,0,1,0,0,0|1,1,0]=4 18 B10R1.66 O=C(O)\C=C\C1=CNC=C1 CS-0996830 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [1,0,1,0,0,0|1,0,1]=4 20 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2O1 CS-0566263 [0,1,0,0,0,1|2,0,0]=4 21 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=C1 CS-0319588 [0,1,0,0,0,1|2,0,0]=4 22 B14R2.624 O=C(O)C1=C(F)C=C2NC=CC2=C1 CS-0060714 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 CS-0037045 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.966 COC(=O)C1=NC=C2C=CSC2=C1 CS-0081743 [0,1,0,0,0,1|0,1,1]=4 25 B14R2.5998 CC1=C2C=CN=C2NC=C1C(=O)O CS-0216214 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CN2)C=C1 CS-0375506 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.5998 O=C(O)C1=C(F)C2=C(C=C1)NC=C2 CS-0096139 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.5998 O=C(O)C1=CC=C2OC=CC2=C1O CS-0038619 [0,1,0,0,0,1|1,0,0]=3 29 B14R2.24358 CN1C=CC2=NC=C(C(=O)O)C=C21 CS-0056615 [0,1,0,0,0,1|1,0,1]=4 30 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Br CS-0041629 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.24358 O=C(O)C1=CC=C2SC=C(Br)C2=C1 CS-0880769 [0,1,0,0,0,1|1,1,0]=4 32 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 CS-0044445 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2S1 CS-0034958 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2S1 CS-0719804 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=N2)N1 CS-0187128 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.7969 CC1=C2C=C(C(=O)O)OC2=CC=C1 CS-0867861 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 CS-0298962 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.125 O=C(O)\C=C\C1=C(Cl)N=CC=C1 CS-0245779 [0,0,1,0,0,1|2,0,0]=4 39 B12R1.226 C(C(=O)O)=CC1=CC(Cl)=CC=C1 CS-W017081 [0,0,1,0,0,1|2,0,0]=4 40 B12R1.226 O=C(O)\C=C\C1=NC(Cl)=CC=C1 CS-0693862 [0,0,1,0,0,1|2,0,0]=4 41 B12R2.44 O=CC1=CC=C2C=COC2=C1 CS-0173259 [1,0,0,0,0,1|1,0,0]=3 42 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS-W010726 [0,0,0,0,0,2|1,0,1]=4 43 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 CS-B1830 [0,0,0,0,0,2|1,0,1]=4 44 B14R2.781 O=C(O)C1=CC=C2C=NC=NC2=C1 CS-0048717 [0,0,0,0,0,2|2,0,0]=4 45 B14R2.781 O=C(O)C1=CC=C2N=CN=CC2=C1 CS-0048718 [0,0,0,0,0,2|2,0,0]=4 46 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 CS-0043745 [0,0,0,0,0,2|1,0,1]=4 47 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=C2 CS-0055752 [0,0,0,0,0,2|2,0,0]=4