0 B8R1.8 NCCC1=CC=CO1 CS-B1143 [1,0,0,0,0,0|1,0,2]=4 1 B10R1.11 N#CCC(=O)C1=CC=CO1 CS-W013361 [0,1,0,0,0,0|1,0,2]=4 2 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,0,1,0,0,0|1,0,2]=4 4 B10R2.7 C1=CC2=C(C=CS2)C=N1 CS-D0447 [0,0,0,1,0,0|2,1,0]=4 5 B10R2.7 C1=CC2=C(N=C1)SC=C2 CS-W006678 [0,0,0,1,0,0|2,1,0]=4 6 B10R2.7 C1=CC2=CN=CN2C=C1 CS-0082271 [0,0,0,1,0,0|3,0,0]=4 7 B10R2.7 C1=CC2=NC=CN2N=C1 CS-W013583 [0,0,0,1,0,0|3,0,0]=4 8 B10R2.7 C1=CC=C2NN=CC2=C1 CS-W008689 [0,0,0,1,0,0|3,0,0]=4 9 B10R2.7 C1=CC=C2OCOC2=C1 CS-W020572 [0,0,0,1,0,0|2,0,1]=4 10 B10R2.7 C1=CC=C2SC=CC2=C1 CS-D1193 [0,0,0,1,0,0|1,1,0]=3 11 B10R2.7 C1=CN2N=CC=C2N=C1 CS-0044088 [0,0,0,1,0,0|3,0,0]=4 12 B10R2.7 C1=CN=C2C=CNC2=C1 CS-D1166 [0,0,0,1,0,0|2,0,0]=3 13 B10R2.7 C1=CN=C2C=CSC2=C1 CS-D0425 [0,0,0,1,0,0|1,1,0]=3 14 B10R2.7 C1=CN=C2NC=CC2=C1 CS-B0516 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [0,0,0,0,0,1|1,0,0]=2 16 B7R1.1 N#CC1=CC=CO1 CS-W016667 [2,0,0,0,0,0|1,0,1]=4 17 B7R1.1 O=CC1=CNC=C1 CS-D1061 [2,0,0,0,0,0|2,0,0]=4 18 B7R1.1 O=CC1=CNC=N1 CS-D1058 [2,0,0,0,0,0|2,0,0]=4 19 B7R1.1 O=CC1=COC=C1 CS-M0782 [2,0,0,0,0,0|2,0,0]=4 20 B7R1.1 O=CC1=CSC=N1 CS-W007683 [2,0,0,0,0,0|2,0,0]=4 21 B7R1.1 O=CC1=NC=CN1 CS-W007321 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS-W019538 [0,1,0,0,0,1|1,0,0]=3 23 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [0,1,0,0,0,1|2,0,0]=4 24 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,1,0,0,0,1|1,0,0]=3 25 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,1,0,0,0,1|1,0,0]=3 26 B11R1.35 [C@@H](N)(CC1=CC=CO1)C(=O)O CS-0043946 [0,2,0,0,0,0|0,0,2]=4 27 B9R1.2 CC1=CC=CC(C=O)=C1 CS-0007820 [0,0,1,1,0,0|1,0,0]=3 28 B9R1.2 NCC1=CC(O)=CC=C1 CS-0079906 [0,0,1,1,0,0|1,0,1]=4 29 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [0,0,1,1,0,0|1,0,1]=4 30 B9R1.2 O=CC1=CC(Br)=NC=C1 CS-W007762 [0,0,1,1,0,0|2,0,0]=4 31 B9R1.2 O=CC1=CC(I)=CC=C1 CS-W007699 [0,0,1,1,0,0|1,0,0]=3 32 B9R1.2 O=CC1=CC=CC(Br)=C1 CS-W009197 [0,0,1,1,0,0|1,0,0]=3 33 B9R1.2 O=CC1=CN=CC(F)=C1 CS-W018621 [0,0,1,1,0,0|2,0,0]=4 34 B9R1.2 O=CC1=NC(Br)=CC=C1 CS-D0741 [0,0,1,1,0,0|2,0,0]=4 35 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS-W005244 [0,0,1,1,0,0|2,0,0]=4 36 B9R1.2 O=CC1=NC=CC(Br)=C1 CS-W004857 [0,0,1,1,0,0|2,0,0]=4 37 B9R1.15 C=CC1=CC=CC=C1N CS-W006235 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.69 CC1=CC(O)=CC=C1Br CS-D0701 [0,0,1,1,0,0|1,0,1]=4 39 B9R1.69 CC1=CC(O)=CC=C1N CS-W013540 [0,0,1,1,0,0|1,0,1]=4 40 B9R1.69 NC1=C(Br)C=C(O)C=C1 CS-0042863 [0,0,1,1,0,0|2,0,0]=4 41 B9R1.69 NC1=C(Cl)C=C(O)C=C1 CS-W019864 [0,0,1,1,0,0|2,0,0]=4 42 B9R1.69 NC1=C(Cl)C=CC(O)=C1 CS-W007877 [0,0,1,1,0,0|2,0,0]=4 43 B9R1.69 NC1=C(F)C=C(O)C=C1 CS-M1784 [0,0,1,1,0,0|2,0,0]=4 44 B9R1.69 NC1=C(O)C=C(O)C=C1 CS-W016131 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.69 NC1=CC=C(O)C=C1F CS-M2394 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.69 OC1=CC(F)=C(Cl)C=C1 CS-W007652 [0,0,1,1,0,0|2,0,0]=4 47 B9R1.69 OC1=CC(O)=C(Br)C=C1 CS-W008238 [0,0,1,1,0,0|2,0,0]=4 48 B9R1.69 OC1=CC=C(I)C(Br)=C1 CS-0098632 [0,0,1,1,0,0|2,0,0]=4 49 B9R1.69 OC1=CC=C(O)C(O)=C1 CS-W011167 [0,0,1,1,0,0|1,0,1]=4 50 B9R1.5 NC1=CC=CC=CC1=O CS-0060480 [0,0,1,1,0,0|1,0,0]=3 51 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [0,0,1,1,0,0|2,0,0]=4 52 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [0,0,1,1,0,0|1,0,1]=4 53 B11R2.106 BrC1=C2OC=CC2=CC=C1 CS-W019960 [0,1,0,1,0,0|1,0,0]=3 54 B11R2.106 BrC1=C2SC=CC2=CC=C1 CS-0102956 [0,1,0,1,0,0|1,1,0]=4 55 B11R2.106 BrC1=CC=CC2=C1C=CN2 CS-D1365 [0,1,0,1,0,0|2,0,0]=4 56 B11R2.106 BrC1=CC=CC2=C1C=NO2 CS-W018666 [0,1,0,1,0,0|2,0,0]=4 57 B11R2.106 CC1=C2NC=CC2=CC=C1 CS-W007670 [0,1,0,1,0,0|2,0,0]=4 58 B11R2.106 ClC1=C2C=CSC2=CC=C1 CS-0097337 [0,1,0,1,0,0|1,1,0]=4 59 B11R2.106 ClC1=C2NC=CC2=NC=C1 CS-W019635 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.106 FC1=C2OC=CC2=CC=C1 CS-0094378 [0,1,0,1,0,0|1,0,0]=3 61 B11R2.106 N=C1NC=CC2=C1C=CN2 CS-W007170 [0,1,0,1,0,0|2,0,0]=4 62 B11R2.106 O=C1CCCC2=C1C=CO2 CS-W017761 [0,1,0,1,0,0|0,0,2]=4 63 B11R2.106 O=C1NC=CC2=NC=CN12 CS-0105346 [0,1,0,1,0,0|2,0,0]=4 64 B11R2.106 OC1=C2C=CNC2=NC=C1 CS-B0509 [0,1,0,1,0,0|1,0,1]=4 65 B11R2.106 OC1=CC=CC2=C1NC=C2 CS-W005047 [0,1,0,1,0,0|2,0,0]=4 66 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [0,1,0,1,0,0|1,1,0]=4 67 B11R2.10 CC1=NC2=NC=CC=C2O1 CS-W023072 [0,1,0,1,0,0|2,0,0]=4 68 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [0,1,0,1,0,0|2,0,0]=4 69 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,1,0,1,0,0|1,0,1]=4 70 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [0,1,0,1,0,0|2,0,0]=4 71 B11R2.10 S=C1NC2=NC=CC=C2O1 CS-0081565 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [0,1,0,1,0,0|2,0,0]=4 73 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 CS-D0617 [0,1,0,1,0,0|2,0,0]=4 74 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS-D1020 [0,1,0,1,0,0|2,0,0]=4 75 B11R2.36 CC1=CC=C2N=COC2=C1 CS-0100362 [0,1,0,1,0,0|2,0,0]=4 76 B11R2.36 FC1=CC=C2NC=CC2=C1 CS-D0680 [0,1,0,1,0,0|2,0,0]=4 77 B11R2.36 NC1=CC2=C(C=C1)C=NO2 CS-W019725 [0,1,0,1,0,0|2,0,0]=4 78 B11R2.36 NC1=CC=C2C=COC2=C1 CS-0102042 [0,1,0,1,0,0|1,0,0]=3 79 B11R2.36 NC1=CC=C2OC=CC2=C1 CS-W004624 [0,1,0,1,0,0|1,0,0]=3 80 B11R2.36 NC1=CC=C2SC=CC2=C1 CS-W005352 [0,1,0,1,0,0|1,1,0]=4