0 B4R0.2 BrCCCBr CS-W020641 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C=CCON CS-0010194 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 NCCCBr CS-W008585 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.2 NCCCCl CS-0015792 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 NCCCO CS-W020089 [0,0,0,0,0,0|1,0,0]=1 5 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|1,0,0]=2 6 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4 8 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(=O)CCO CS-0044370 [0,1,0,0,0,0|0,0,1]=2 11 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|0,0,0]=1 14 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(=N)O CS-W011178 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.2 BrCCCCBr CS-W020631 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.2 C#CCCCCl CS-W009550 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.2 C=CCCCO CS-W011355 [0,1,0,0,0,0|0,0,1]=2 20 B5R0.2 COCCC#N CS-0030563 [0,1,0,0,0,0|1,0,1]=3 21 B5R0.2 ClC\C=C/CCl CS-0005668 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.2 ICCCCI CS-W004871 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.2 N#CCCCCl CS-D1161 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.2 NOCCON CS-0070013 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,1,0,0,0,0|0,0,2]=3 29 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|0,0,0]=1 30 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|0,0,0]=1 31 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|2,0,1]=4 33 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|1,0,0]=2 35 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,1,0,0|1,1,0]=3 36 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 37 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,0,0,1,0,0|1,0,0]=2 38 B5R1.3 N#CC1CC1 CS-D1406 [0,0,0,1,0,0|1,0,1]=3 39 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 CC(N)CO CS-W018531 [1,1,0,0,0,0|0,0,0]=2 41 B4R0.1 CC(O)CBr CS-0063182 [1,1,0,0,0,0|1,0,0]=3 42 B4R0.1 CCC(=N)O CS-W016688 [1,1,0,0,0,0|0,0,1]=3 43 B4R0.1 CC[C@H](C)N CS-0084847 [1,1,0,0,0,0|0,0,0]=2 44 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.1 COC(=O)CCS CS-0000049 [0,2,0,0,0,0|0,1,1]=4 48 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|0,0,0]=2 49 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,2,0,0,0,0|0,0,1]=3 50 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,2,0,0,0,0|0,0,1]=3 51 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.4 CC(=O)CCCCl CS-W013569 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.4 CC(=O)OCCBr CS-W007598 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.4 CCCOC(N)=O CS-W019060 [0,2,0,0,0,0|0,0,2]=4 58 B6R0.4 CN(C)CCCCl CS-W019575 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.4 COCCC(=O)O CS-W009112 [0,2,0,0,0,0|0,0,1]=3 61 B6R0.4 N=C(O)NCCO CS-W011301 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.5 NCCC(F)(F)F CS-W004765 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.5 O=S(=O)(O)CCO CS-W019640 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.5 OCCC(F)(F)F CS-W011251 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.6 C#CCCCCO CS-W016659 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.6 C=CCCCCBr CS-W008939 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.6 ClCCCCCBr CS-W016940 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.6 ClCCNCCCl CS-W020124 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.6 FCCCCCBr CS-W005161 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.6 ICCCCCI CS-0041009 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.6 NCCNCCO CS-W011299 [0,2,0,0,0,0|0,0,0]=2 72 B6R0.6 OCCOCCCl CS-0016058 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.8 NCC(F)(F)CO CS-B1180 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.9 CCN(C=O)CC CS-W009551 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.9 COC(CBr)OC CS-W018536 [0,2,0,0,0,0|2,0,0]=4 76 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,1,0,0|1,0,0]=3 77 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,1,0,0|1,0,1]=4 79 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,1,0,0|0,0,0]=2 80 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,1,0,0|0,0,2]=4 81 B6R1.2 O=C1OCCO1 CS-0017611 [0,1,0,1,0,0|1,0,1]=4 82 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,1,0,0|0,0,0]=2 83 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|1,0,0]=3 84 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|0,0,0]=2 85 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|0,0,0]=2 86 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|2,0,0]=4 88 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,1,0,1,0,0|0,0,1]=3 90 B6R1.1 C1CCNNC1 CS-0038680 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.1 C1CSCCN1 CS-W007359 [0,1,0,1,0,0|0,1,0]=3 92 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|2,0,0]=4 95 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|0,0,0]=2 97 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,1,0,1,0,0|1,0,0]=3