0 B5R0.2 BrCCCCBr CS-W020631 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCCCl CS-W009550 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C=CCCCO CS-W011355 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.2 COCCC#N CS-0030563 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 ICCCCI CS-W004871 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 N#CCCCCl CS-D1161 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 NOCCON CS-0070013 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|0,0,2]=3 13 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.4 CC(C)OCCBr CS-W018660 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.4 CN(C)CCCCl CS-W019575 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.4 CNCCC(C)C CS-0039334 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 COCCC(=O)O CS-W009112 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.4 N=C(O)NCCO CS-W011301 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.6 C#CCCCCO CS-W016659 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.6 C=CCCCCBr CS-W008939 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.6 ClCCCCCBr CS-W016940 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.6 ClCCNCCCl CS-W020124 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.6 FCCCCCBr CS-W005161 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.6 ICCCCCI CS-0041009 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.6 NCCNCCO CS-W011299 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.6 OCCOCCCl CS-0016058 [0,1,0,0,0,0|1,0,2]=4 30 B6R1.1 C1CCNNC1 CS-0038680 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.1 C1CSCCN1 CS-W007359 [0,0,0,1,0,0|1,1,1]=4 32 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 NC1=NCCC1 CS-B0123 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.2 O=C1NCCN1 CS-0075560 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.2 O=C1OCCO1 CS-0017611 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,0,2]=4 40 B6R1.3 NCCC1CC1 CS-W006511 [0,0,0,1,0,0|1,0,1]=3 41 B6R1.3 NOCC1CC1 CS-W019324 [0,0,0,1,0,0|2,0,0]=3 42 B6R1.3 OCCC1CC1 CS-W016679 [0,0,0,1,0,0|0,0,2]=3 43 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.6 CNC1CNC1 CS-0043910 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|1,0,2]=4 48 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 49 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(=O)CCO CS-0044370 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|0,0,1]=3 54 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.1 CNCC(=N)O CS-W011178 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.1 N#CCC(N)=O CS-0006665 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|0,0,1]=3 63 B7R0.2 COC(=O)CC(N)=O CS-W022821 [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|0,0,2]=4 65 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [0,2,0,0,0,0|0,0,1]=3 71 B7R0.4 CC(O)CNCCO CS-M0804 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.4 CCCCCB(O)O CS-W018820 [0,2,0,0,0,0|0,0,2]=4 73 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,2,0,0,0,0|0,0,1]=3 74 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.1 C#CCCCCCO CS-W007441 [0,2,0,0,0,0|0,0,2]=4 77 B7R0.1 ClCCCCCCI CS-0059200 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.1 NCCCCCCN CS-W015964 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.1 OCCCCCCCl CS-B1599 [0,2,0,0,0,0|0,0,2]=4 80 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,1,0]=4 81 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|1,0,1]=4 82 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|1,0,1]=4 83 B5R1.3 N#CC1CC1 CS-D1406 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.1 COC1=NCCC1 CS-W022401 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|0,0,2]=4 93 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,1,0,0|0,0,0]=2 101 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|0,0,0]=2 102 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|0,0,2]=4 103 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|0,0,2]=4 104 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.18 O=C(O)C1COC1 CS-B1344 [0,1,0,1,0,0|1,0,0]=3