0 B4R0.1 CC(=O)NN CS-D1403 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(N)CO CS-W018531 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 CC(O)CBr CS-0063182 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC[C@H](C)N CS-0084847 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|1,0,1]=3 5 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4 6 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|2,0,1]=4 8 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.2 CC(=O)O CS-W019776 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.2 CC(=O)[O-] CS-0082496 [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 CC(=O)[O-] CS-0084525 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.2 CC(=O)[O-] CS-W002072 [1,0,0,0,0,0|1,0,1]=3 13 B3R0.2 CC(=O)[O-] CS-W004700 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.2 CC(=O)[O-] CS-W020594 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.2 O=C([O-])[O-] CS-B1715 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.2 O=C([O-])[O-] CS-W008901 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.1 COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|1,0,2]=4 26 B5R0.4 CC(C)(N)C#N CS-W005215 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.4 CC(C)(N)CO CS-W013743 [0,1,0,0,0,0|0,0,2]=3 28 B5R0.4 CC(C)(O)CN CS-W008799 [0,1,0,0,0,0|1,0,1]=3 29 B5R0.5 CC(C)C(N)=O CS-W019979 [0,1,0,0,0,0|0,0,0]=1 30 B5R0.5 CC(N)C(=O)O CS-0022544 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,1,0,0,0,0|1,0,0]=2 32 B5R0.5 NC(=O)C(F)F CS-0109914 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,1,0,0,0,0|2,0,1]=4 34 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|1,0,1]=3 35 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,0,0,1,0,0|2,0,1]=4 36 B5R1.3 N#CC1CC1 CS-D1406 [0,0,0,1,0,0|1,0,1]=3 37 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|2,0,0]=4 38 B2R0.1 O=[Zr]=O CS-0111468 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.2 BrCCCBr CS-W020641 [1,1,0,0,0,0|1,0,1]=4 40 B4R0.2 C=CCON CS-0010194 [1,1,0,0,0,0|2,0,0]=4 41 B4R0.2 NCCCBr CS-W008585 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.2 NCCCCl CS-0015792 [1,1,0,0,0,0|1,0,1]=4 43 B4R0.2 NCCCO CS-W020089 [1,1,0,0,0,0|0,0,2]=4 44 B4R0.3 CS(=O)(=O)[O-] CS-0084592 [1,1,0,0,0,0|2,0,0]=4 45 B4R0.3 CS(C)(=O)=O CS-0017786 [1,1,0,0,0,0|1,0,0]=3 46 B4R0.3 CS(N)(=O)=O CS-W020062 [1,1,0,0,0,0|2,0,0]=4 47 B4R0.3 C[N+](C)(C)C CS-W013670 [1,1,0,0,0,0|1,0,1]=4 48 B4R0.3 C[S+](C)(C)=O CS-W018549 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|0,0,2]=4 50 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.9 CCN(C=O)CC CS-W009551 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.9 COC(CBr)OC CS-W018536 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.7 CN(C)S(N)(=O)=O CS-W011181 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.7 NC(=O)C(F)(F)F CS-W018487 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.7 O=C([O-])C(F)(F)F CS-W007333 [0,2,0,0,0,0|2,0,0]=4 68 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|1,0,1]=4 69 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|1,0,1]=4 70 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|0,0,2]=4 71 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|0,0,2]=4 72 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|0,0,2]=4 73 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|1,0,1]=4 74 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,1,0,1,0,0|0,0,0]=2 75 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,1]=4 76 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|0,0,2]=4 77 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|1,0,1]=4 78 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|0,0,2]=4 79 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|0,0,2]=4 80 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,1,0,1,0,0|0,0,2]=4