0 B8R1.8 NCCN1C=NC=N1 CS-0005461 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 OCCN1C=CN=C1 CS-W016617 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.1 C#CC1=CC=CS1 CS-W011286 [1,0,0,0,0,0|0,0,2]=3 3 B7R1.1 CCC1=NC=CN1 CS-W013728 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.1 CCN1C=CN=C1 CS-W011340 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.1 CNC1=NC=CS1 CS-W006616 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 NCC1=CN=CS1 CS-W005433 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.1 NCC1=CSC=C1 CS-0063211 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 NCC1=NNC=C1 CS-W019647 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 O=CC1=CC=CS1 CS-W013657 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.1 OCC1=CC=CS1 CS-0022380 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.7 CCCC1=CC(N)=NN1 CS-W022425 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.11 NNC(=O)C1=CC=CO1 CS-M1764 [0,1,0,0,0,0|1,1,1]=4 13 B9R1.12 N#CCCN1C=CC=C1 CS-W021753 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [0,0,0,0,0,1|1,0,2]=4 17 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [0,0,0,0,0,1|2,0,0]=3 18 B6R1.2 BrC1=CC=CS1 CS-W020109 [2,0,0,0,0,0|1,0,0]=3 19 B6R1.2 CC1=CN=CN1 CS-D1459 [2,0,0,0,0,0|2,0,0]=4 20 B6R1.2 CC1=CNC=C1 CS-W016682 [2,0,0,0,0,0|2,0,0]=4 21 B6R1.2 CC1=NC=CN1 CS-W019983 [2,0,0,0,0,0|2,0,0]=4 22 B6R1.2 IC1=CC=CS1 CS-W007589 [2,0,0,0,0,0|1,0,0]=3 23 B6R1.2 NC1=CN=CS1 CS-W006568 [2,0,0,0,0,0|1,0,0]=3 24 B6R1.2 NC1=CN=NS1 CS-W013708 [2,0,0,0,0,0|2,0,0]=4 25 B6R1.2 NC1=CSC=C1 CS-D0330 [2,0,0,0,0,0|2,0,0]=4 26 B6R1.2 NC1=NC=CO1 CS-D0841 [2,0,0,0,0,0|1,1,0]=4 27 B6R1.2 NC1=NN=CS1 CS-W019584 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 NC1=NNC=C1 CS-D1141 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.1 CCC1=CC(=N)NN1 CS-W016620 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.1 O=CC1=CC=C(Br)S1 CS-W008646 [1,1,0,0,0,0|1,0,1]=4 31 B8R1.1 OCC1=CC(Br)=CS1 CS-0042536 [1,1,0,0,0,0|1,0,0]=3 32 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [1,1,0,0,0,0|1,0,1]=4 33 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [1,1,0,0,0,0|0,1,1]=4 34 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [1,1,0,0,0,0|0,0,1]=3 35 B8R1.7 CC(=O)C1=NC=CS1 CS-W008970 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.7 CC(N)C1=NC=CS1 CS-W008693 [1,1,0,0,0,0|1,0,0]=3 37 B8R1.11 CN1C=CN=C1CN CS-0030791 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.11 OCC1=C(Br)N=CS1 CS-W021101 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [0,1,0,0,0,1|1,0,0]=3 41 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [0,1,0,0,0,1|1,0,0]=3 44 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [0,1,0,0,0,1|1,0,0]=3 46 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [0,1,0,0,0,1|1,0,0]=3 50 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [0,0,0,1,0,1|2,0,0]=4