0 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 CS-0060606 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.112 NCCC1=NC2=CC=CC=C2C=C1 CS-D0088 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS-W021958 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.57 COC1=CC2=NC=NC=C2C=C1 CS-0084770 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS-W022551 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.57 COC1=CN=C2C=CC=NC2=C1 CS-0081671 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.57 ClCC1=NC2=NC=CC=C2C=C1 CS-0088981 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.57 ClCC1=NC=C2C=CC=CC2=N1 CS-0085236 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.57 NCC1=CC2=C(C=C1)N=CC=C2 CS-0060660 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS-0060584 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.57 O=CC1=CC2=C(C=CC=N2)C=C1 CS-W010914 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.886 CCOC1=NC2=CC=CC=C2C(=O)O1 CS-0046537 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.1290 CCOC1=NC2=C(Cl)C=CN=C2C=C1 CS-0061666 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.1601 N[C@H](CO)C1=CC2=CC=CC=C2C=C1 CS-0091619 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CS-0110084 [0,0,1,0,0,0|2,0,1]=4 15 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=N1 CS-0036494 [0,0,1,0,0,0|2,0,0]=3 16 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 CS-0088304 [0,0,1,0,0,0|2,0,0]=3 17 B13R2.26 NCCC1=CC2=CC=CC=C2N1 CS-0035427 [0,0,0,0,1,0|3,0,0]=4 18 B13R2.26 OCCC1=CC2=CC=CC=C2N1 CS-0038120 [0,0,0,0,1,0|3,0,0]=4 19 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 CS-0093846 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.286 CCOC1=CC=C(Br)C(C=O)=C1 CS-0059766 [1,0,1,0,0,0|2,0,0]=4 22 B12R2.24 CC1=CC=C2C=NC=NC2=C1 CS-0085116 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.24 CC1=CC=C2N=CN=CC2=C1 CS-0085115 [2,0,0,0,0,0|2,0,0]=4 24 B12R2.24 CC1=NC2=CC=CC=C2C=N1 CS-0099614 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 IC1=CC2=CC=CC=C2N=C1 CS-0103668 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.24 OC1=CC=C2C=NC=NC2=C1 CS-0085122 [2,0,0,0,0,0|2,0,0]=4 27 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-0047587 [0,1,1,0,0,0|1,0,0]=3 28 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br CS-0109992 [0,1,1,0,0,0|1,0,0]=3 29 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Cl CS-0035691 [0,1,1,0,0,0|1,0,0]=3 30 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1F CS-0090951 [0,1,1,0,0,0|2,0,0]=4 31 B14R1.598 CCOC(=O)\C=C\C1=NC=CC=C1F CS-0090929 [0,1,1,0,0,0|2,0,0]=4 32 B14R2.92 CNC1=CC=C2N=CC=CC2=C1N CS-0102358 [1,1,0,0,0,0|2,0,0]=4 33 B14R2.92 COC1=C(I)C2=NC=CC=C2N=C1 CS-0081730 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 CS-0040493 [1,1,0,0,0,0|0,0,0]=2 35 B14R2.134 COC1=CC2=CC(N)=CC=C2C=C1 CS-0108594 [1,1,0,0,0,0|0,0,0]=2 36 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 CS-0057637 [1,1,0,0,0,0|2,0,0]=4 37 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=N1 CS-0062120 [1,1,0,0,0,0|1,0,0]=3 38 B14R2.142 COC1=CC=C2N=CC=C(I)C2=C1 CS-0102694 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.142 COC1=NC2=C(Br)C=CC=C2C=C1 CS-0067348 [1,1,0,0,0,0|1,0,0]=3 40 B14R2.142 COC1=NC2=C(C=C1)NC=CC2=O CS-0062020 [1,1,0,0,0,0|2,0,0]=4 41 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 CS-W006802 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 CS-0060853 [1,1,0,0,0,0|1,0,1]=4 43 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=C1 CS-0036891 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.1019 CCC1=CC(O)=C2N=CC=CC2=C1 CS-0083593 [1,1,0,0,0,0|1,0,0]=3 45 B14R2.1019 CSC1=CC(=O)C2=CC=CC=C2S1 CS-0081216 [1,1,0,0,0,0|1,1,0]=4 46 B14R2.1128 COC1=C(Br)C=C2C=CC=NC2=C1 CS-0062124 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.1128 COC1=CC2=C(C=C1F)N=CC=C2 CS-0062006 [1,1,0,0,0,0|1,0,0]=3 48 B14R2.1128 COC1=CC2=C(C=CN=C2)C=C1I CS-0092017 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl CS-W015028 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl CS-0091810 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.1801 COC1=CC2=NC=NC(N)=C2C=C1 CS-0084699 [1,1,0,0,0,0|2,0,0]=4 52 B14R2.2332 CCC1=CC2=CC=C(O)C=C2C=C1 CS-0061462 [1,1,0,0,0,0|0,0,0]=2 53 B14R2.2332 COC1=CC2=C(C=C1)C=C(Cl)N=C2 CS-0081538 [1,1,0,0,0,0|1,0,0]=3 54 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 CS-0035482 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=C1 CS-0092678 [1,1,0,0,0,0|1,0,1]=4 56 B14R2.2332 OCC1=CC2=C(C=C1)C=C(Cl)N=C2 CS-0081530 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.106 CCOC1=NC2=C(C=C(Br)C=C2)S1 CS-0067693 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.106 CCOC1=NC2=C(C=C(O)C=C2)S1 CS-0067695 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.475 CCOC1=CC2=C(C=C1)CCC2=O CS-0036003 [0,1,0,0,1,0|0,0,2]=4 60 B14R2.583 CCOC1=CC2=NC=CN2C=C1Br CS-0068924 [0,1,0,0,1,0|2,0,0]=4 61 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(Cl)S2 CS-0061657 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(O)S2 CS-0061658 [0,1,0,0,1,0|2,0,0]=4 63 B16R2.477 CC(=O)NNC1=CC2=CC=CC=C2C=C1 CS-0061076 [0,2,0,0,0,0|1,0,1]=4 64 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2C=C1 CS-0036190 [0,2,0,0,0,0|1,0,0]=3 65 B16R2.1285 COCOC1=CC2=CC(Br)=CC=C2C=C1 CS-0095723 [0,2,0,0,0,0|0,0,0]=2 66 B16R2.33941 COC(=O)C1=C(N)C=C2C=CC=CC2=C1 CS-0109530 [0,2,0,0,0,0|2,0,0]=4 67 B16R2.1229 O=C(CBr)C1=C(O)C2=CC=CC=C2C=C1 CS-0060582 [0,2,0,0,0,0|2,0,0]=4 68 B16R2.82802 FC(F)(F)OC1=CC2=C(C=C1)N=CC=C2 CS-0080667 [0,2,0,0,0,0|2,0,0]=4 69 B16R2.28230 CCOC1=CC=C2N=C(C=O)C=CC2=C1 CS-0099678 [0,2,0,0,0,0|1,0,0]=3 70 B14R3.3022 C1=C2C=C3OCOC3=CC2=CO1 CS-0100176 [0,0,0,1,1,0|2,0,0]=4 71 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 CS-0036976 [0,0,1,0,1,0|2,0,0]=4 72 B12R1.308 CCOC(=O)C1=CC=CC=C1I CS-0085183 [0,0,1,0,1,0|2,0,0]=4 73 B12R2.1 CON1C=CC2=C1C=CC=C2 CS-0106939 [1,0,0,0,1,0|1,0,0]=3 74 B12R2.32 CCC1=NC2=CC=CC=C2O1 CS-0062230 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.44 COC1=CC2=NC=CN2C=C1 CS-0106326 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.44 COC1=CN2C=CN=C2C=C1 CS-0036603 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 CS-0091638 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 CS-0091815 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.44 OCC1=CC=C2SC=CC2=C1 CS-0052635 [1,0,0,0,1,0|2,0,0]=4 80 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 CS-0112225 [0,0,1,0,0,1|1,0,1]=4