0 B5R1.1 C1=CNN=N1 CS-B1285 [0,0,0,0,0,0|2,0,0]=2 1 B5R1.1 C1=NC=NN1 CS-D1150 [0,0,0,0,0,0|2,0,0]=2 2 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 BrC1=CC=CS1 CS-W020109 [0,1,0,0,0,0|1,0,0]=2 4 B6R1.2 BrC1=CSC=C1 CS-W009226 [0,1,0,0,0,0|1,0,0]=2 5 B6R1.2 BrC1=NC=NS1 CS-W006082 [0,1,0,0,0,0|2,0,1]=4 6 B6R1.2 CC1=CN=CN1 CS-D1459 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 CC1=CNC=C1 CS-W016682 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 CC1=NC=CN1 CS-W019983 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 CN1C=CN=C1 CS-W008580 [0,1,0,0,0,0|1,0,0]=2 10 B6R1.2 CN1C=CN=N1 CS-W018672 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.2 CN1C=NN=C1 CS-0040088 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.2 ClC1=CSC=N1 CS-W022167 [0,1,0,0,0,0|1,0,1]=3 13 B6R1.2 IC1=CC=CS1 CS-W007589 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 IC1=CSC=C1 CS-W004948 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 NC1=CN=CS1 CS-W006568 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 NC1=CN=NS1 CS-W013708 [0,1,0,0,0,0|2,0,1]=4 17 B6R1.2 NC1=CNN=C1 CS-W008242 [0,1,0,0,0,0|1,0,0]=2 18 B6R1.2 NC1=CSC=C1 CS-D0330 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 NC1=NC=CO1 CS-D0841 [0,1,0,0,0,0|1,0,1]=3 20 B6R1.2 NC1=NN=CS1 CS-W019584 [0,1,0,0,0,0|2,0,1]=4 21 B6R1.2 NC1=NNC=C1 CS-D1141 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 O=C1NCCN1 CS-0075560 [0,1,0,0,0,0|1,0,2]=4 23 B4R0.2 C=CCON CS-0010194 [0,0,1,0,0,0|1,0,1]=3 24 B6R1.1 C1=CC=NC=C1 CS-0015119 [0,0,0,0,0,1|0,0,1]=2 25 B6R1.1 C1=CC=NC=C1 CS-D1421 [0,0,0,0,0,1|0,0,1]=2 26 B6R1.1 C1=CC=NC=C1 CS-W017944 [0,0,0,0,0,1|0,0,1]=2 27 B6R1.1 C1=CC=[NH+]C=C1 CS-0015299 [0,0,0,0,0,1|0,0,1]=2 28 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,1,0,0,0|0,0,2]=4 29 B7R1.3 BrC1=CN=CN=C1 CS-W008017 [0,1,0,0,0,1|0,0,1]=3 30 B7R1.3 BrC1=NC=CC=C1 CS-D1419 [0,1,0,0,0,1|0,0,1]=3 31 B7R1.3 CC1=CN=CN=C1 CS-D0065 [0,1,0,0,0,1|0,0,1]=3 32 B7R1.3 ClC1=NC=CN=C1 CS-W018537 [0,1,0,0,0,1|0,0,1]=3 33 B7R1.3 FC1=CN=CC=N1 CS-W013727 [0,1,0,0,0,1|0,0,1]=3 34 B7R1.3 IC1=CC=CN=C1 CS-D1693 [0,1,0,0,0,1|0,0,1]=3 35 B7R1.3 IC1=CC=NC=C1 CS-D1711 [0,1,0,0,0,1|0,0,1]=3 36 B7R1.3 IC1=CN=CC=N1 CS-W004887 [0,1,0,0,0,1|0,0,1]=3 37 B7R1.3 NC1=NC=CC=N1 CS-W020110 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 NC1=NN=CC=C1 CS-D1151 [0,1,0,0,0,1|0,0,1]=3 39 B7R1.3 O=C1C=CC=NN1 CS-D0990 [0,1,0,0,0,1|0,0,0]=2 40 B7R1.3 OC1=CC=CN=C1 CS-W009147 [0,1,0,0,0,1|0,0,1]=3 41 B7R1.3 OC1=CN=CN=C1 CS-W019717 [0,1,0,0,0,1|0,0,1]=3 42 B7R1.3 SC1=CC=NC=C1 CS-W013664 [0,1,0,0,0,1|0,0,1]=3 43 B7R1.1 C#CC1=CC=CS1 CS-W011286 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.1 C#CC1=CNN=C1 CS-0034022 [0,2,0,0,0,0|1,0,0]=3 45 B7R1.1 CCC1=NC=CN1 CS-W013728 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 CCN1C=CN=C1 CS-W011340 [0,2,0,0,0,0|1,0,0]=3 47 B7R1.1 CNC1=NC=CS1 CS-W006616 [0,2,0,0,0,0|1,0,1]=4 48 B7R1.1 N#CC1=CSC=C1 CS-W021912 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.1 N#CC1=CSC=N1 CS-W022172 [0,2,0,0,0,0|1,0,1]=4 50 B7R1.1 N#CC1=NC=NN1 CS-W019044 [0,2,0,0,0,0|2,0,0]=4 51 B7R1.1 N#CC1=NNC=C1 CS-W019604 [0,2,0,0,0,0|1,0,0]=3 52 B7R1.1 NCC1=CN=CS1 CS-W005433 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.1 NCC1=CSC=C1 CS-0063211 [0,2,0,0,0,0|1,0,0]=3 54 B7R1.1 NCC1=NNC=C1 CS-W019647 [0,2,0,0,0,0|1,0,0]=3 55 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.1 O=CC1=NC=CO1 CS-W006539 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.1 OCC1=CC=CS1 CS-0022380 [0,2,0,0,0,0|1,0,0]=3 58 B7R1.2 BrC1=CC=C(Br)S1 CS-D1412 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.2 CC1=CC(I)=NN1 CS-W021944 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,2,0,0,0,0|0,0,0]=2 63 B7R1.2 CC1=CN=C(N)S1 CS-WAA0093 [0,2,0,0,0,0|1,0,1]=4 64 B7R1.2 CC1=CSC(Br)=N1 CS-D0855 [0,2,0,0,0,0|1,0,1]=4 65 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,2,0,0,0,0|1,0,1]=4 66 B7R1.2 CC1=NNC(=S)S1 CS-W013406 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,2,0,0,0,0|1,0,1]=4 68 B7R1.2 CC1=NSC(N)=C1 CS-M1245 [0,2,0,0,0,0|1,0,1]=4 69 B7R1.2 CN1C=C(Br)N=N1 CS-W009000 [0,2,0,0,0,0|2,0,0]=4 70 B7R1.2 CN1C=C(N)C=N1 CS-D1698 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.2 CN1C=CC(Br)=N1 CS-D0836 [0,2,0,0,0,0|1,0,0]=3 72 B7R1.2 CN1C=CC(N)=N1 CS-M0755 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.2 NC1=NC=C(Cl)S1 CS-0019223 [0,2,0,0,0,0|1,0,1]=4 74 B7R1.2 NC1=NNC(=S)N1 CS-B1269 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.2 NC1=NNC(=S)S1 CS-W013391 [0,2,0,0,0,0|2,0,0]=4 76 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,2,0,0,0,0|1,0,0]=3 77 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,2,0,0,0,0|1,0,1]=4 78 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.4 BrC1=C(Br)SC=C1 CS-W019996 [0,2,0,0,0,0|1,0,0]=3 82 B7R1.4 CC1=CNN=C1Br CS-0035699 [0,2,0,0,0,0|1,0,0]=3 83 B7R1.4 CC1=CNN=C1C CS-0028725 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.4 CN1N=CC=C1I CS-D0852 [0,2,0,0,0,0|1,0,0]=3 85 B7R1.4 CN1N=CC=C1N CS-D1362 [0,2,0,0,0,0|1,0,0]=3