0 B5R1.1 C1=CNN=N1 CS-B1285 [0,0,0,0,0,0|2,0,2]=4 1 B5R1.1 C1=NC=NN1 CS-D1150 [0,0,0,0,0,0|2,0,2]=4 2 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,0,0,0|0,0,0]=1 4 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,0,0,0|0,0,0]=1 5 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,0,0,0|0,0,2]=3 6 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,0,0,0|1,0,1]=3 8 B6R1.2 O=C1NCCN1 CS-0075560 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 O=C1OCCO1 CS-0017611 [0,1,0,0,0,0|2,0,1]=4 10 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,0,0,0|0,0,0]=1 11 B4R0.2 BrCCCBr CS-W020641 [0,0,1,0,0,0|2,0,0]=3 12 B4R0.2 C=CCON CS-0010194 [0,0,1,0,0,0|1,0,2]=4 13 B4R0.2 NCCCBr CS-W008585 [0,0,1,0,0,0|1,0,0]=2 14 B4R0.2 NCCCCl CS-0015792 [0,0,1,0,0,0|1,0,0]=2 15 B4R0.2 NCCCO CS-W020089 [0,0,1,0,0,0|1,0,0]=2 16 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,0,0,1|0,0,0]=1 17 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,0,0,1|0,0,0]=1 18 B3R0.1 CCCN CS-0079898 [1,0,1,0,0,0|0,0,0]=2 19 B3R0.1 N#CCN CS-W013739 [1,0,1,0,0,0|1,0,1]=4 20 B3R0.1 NCCCl CS-W013617 [1,0,1,0,0,0|1,0,0]=3 21 B3R0.1 NCCF CS-W007788 [1,0,1,0,0,0|1,0,0]=3 22 B5R0.1 CC(=O)CCO CS-0044370 [0,1,1,0,0,0|1,0,1]=4 23 B5R0.1 CC(N)CC#N CS-W020282 [0,1,1,0,0,0|0,0,2]=4 24 B5R0.1 CC(N)CCO CS-W004841 [0,1,1,0,0,0|1,0,0]=3 25 B5R0.1 CCOC(C)=N CS-W008601 [0,1,1,0,0,0|1,0,1]=4 26 B5R0.1 CNCC(=N)O CS-W011178 [0,1,1,0,0,0|1,0,1]=4 27 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,1,0,0,0|1,0,0]=3 28 B5R0.2 BrCCCCBr CS-W020631 [0,1,1,0,0,0|1,0,0]=3 29 B5R0.2 C#CCCCCl CS-W009550 [0,1,1,0,0,0|1,0,1]=4 30 B5R0.2 C=CCCCO CS-W011355 [0,1,1,0,0,0|1,0,1]=4 31 B5R0.2 COCCC#N CS-0030563 [0,1,1,0,0,0|0,0,2]=4 32 B5R0.2 ICCCCI CS-W004871 [0,1,1,0,0,0|1,0,0]=3 33 B5R0.2 N#CCCCCl CS-D1161 [0,1,1,0,0,0|0,0,2]=4 34 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,1,0,0,0|0,0,2]=4 35 B5R0.2 NOCCON CS-0070013 [0,1,1,0,0,0|2,0,0]=4 36 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,1,0,0,0|1,0,0]=3 37 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,1,0,0,0|1,0,0]=3 38 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,1,0,0,0|1,0,1]=4 39 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,1,0,0,0|1,0,1]=4 40 B5R0.3 COC(=O)CN CS-W018508 [0,1,1,0,0,0|1,0,1]=4 41 B5R0.3 NC(CO)CO CS-W007357 [0,1,1,0,0,0|2,0,0]=4 42 B5R1.2 CC1CNC1 CS-W019342 [0,1,0,0,1,0|0,0,0]=2 43 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,0,0,1|1,0,0]=3 44 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,0,0,1|0,0,0]=2 45 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,0,0,1|0,0,0]=2 46 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,0,0,1|0,0,0]=2 47 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,0,0,1|0,0,0]=2 48 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,0,0,1|0,0,0]=2 49 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,0,0,1|0,0,0]=2 50 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,0,0,1|1,0,0]=3 51 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,0,0,1|0,0,0]=2 52 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,0,0,1|1,0,0]=3 53 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,0,0,1|0,0,0]=2 54 B7R1.1 COC1=NCCC1 CS-W022401 [0,2,0,0,0,0|0,0,2]=4 55 B7R1.1 COC1CCNC1 CS-W004880 [0,2,0,0,0,0|0,0,0]=2 56 B7R1.1 CSC1=NCCN1 CS-W010263 [0,2,0,0,0,0|1,0,1]=4 57 B7R1.1 NCC1CCCN1 CS-0019253 [0,2,0,0,0,0|0,0,0]=2 58 B7R1.1 NCC1CCOC1 CS-W004787 [0,2,0,0,0,0|1,0,0]=3 59 B7R1.1 OCC1CCOC1 CS-D1159 [0,2,0,0,0,0|1,0,0]=3 60 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,2,0,0,0,0|1,0,0]=3 61 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,2,0,0,0,0|0,0,0]=2 62 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,2,0,0,0,0|1,0,0]=3 63 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,2,0,0,0,0|1,0,1]=4 65 B7R1.4 NC1CCNC1=O CS-0113495 [0,2,0,0,0,0|0,0,1]=3 66 B7R1.4 NN1CCCC1=O CS-D0019 [0,2,0,0,0,0|0,0,1]=3 67 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,2,0,0,0,0|1,0,1]=4 68 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,2,0,0,0,0|1,0,1]=4 69 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,2,0,0,0,0|0,0,0]=2 70 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,0,1,1,0,0|2,0,0]=4 71 B5R1.3 N#CC1CC1 CS-D1406 [0,0,1,1,0,0|0,0,2]=4