0 B5R0.1 CC(=O)CCO CS-0044370 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(N)CC#N CS-W020282 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(N)CCO CS-W004841 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CCOC(C)=N CS-W008601 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 COC[C@@H](C)O CS-0019059 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.4 CNCCC(C)C CS-0039334 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.5 NCCC(F)(F)F CS-W004765 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.5 OCCC(F)(F)F CS-W011251 [0,1,0,0,0,0|3,0,0]=4 28 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|1,0,0]=2 29 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|0,0,0]=1 30 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.3 NCCC1CC1 CS-W006511 [0,0,0,1,0,0|0,0,0]=1 34 B6R1.3 NOCC1CC1 CS-W019324 [0,0,0,1,0,0|1,0,0]=2 35 B6R1.3 OCCC1CC1 CS-W016679 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.10 CC1(N)COC1 CS-W008280 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.10 CC1(O)CNC1 CS-0007720 [0,0,0,1,0,0|3,0,0]=4 39 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|0,0,0]=2 40 B3R0.1 N#CCN CS-W013739 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|1,0,0]=3 42 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|1,0,0]=3 43 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.3 COC(=O)CN CS-W018508 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.4 CC(C)(N)C#N CS-W005215 [1,1,0,0,0,0|0,0,2]=4 49 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|0,0,0]=2 51 B5R0.4 NCC(F)(F)F CS-W013336 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|0,0,1]=3 53 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|0,0,2]=4 58 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|0,0,2]=4 60 B5R0.2 NC\C=C/CCl CS-M0797 [1,1,0,0,0,0|0,0,2]=4 61 B5R0.2 NOCCON CS-0070013 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|0,0,0]=2 65 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.4 CC(O)CNCCO CS-M0804 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,2,0,0,0,0|2,0,0]=4 71 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|0,0,0]=2 72 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.3 N#CC1CC1 CS-D1406 [1,0,0,1,0,0|0,0,2]=4 74 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|0,0,0]=2 76 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,0]=3 79 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,0]=2 81 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|0,0,0]=2 87 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|0,0,0]=2 88 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|0,0,0]=2 93 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|0,0,0]=2