0 B4R0.2 BrCOCBr CS-0188325 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 NNCCO CS-W007663 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 OCC#CI CS-0375727 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 OO\[In]=O\[InH2] CS-0111749 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.1 CCCN CS-0163446 [1,0,0,0,0,0|1,0,0]=2 5 B3R0.1 NCCI CS-0286771 [1,0,0,0,0,0|2,0,0]=3 6 B3R0.1 NCCN CS-0468678 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(F)CCN CS-0104778 [0,1,0,0,0,0|1,0,0]=2 8 B5R0.1 CC(N)CC#N CS-W020282 [0,1,0,0,0,0|1,0,1]=3 9 B5R0.1 CCC[C@@H](C)O CS-0198768 [0,1,0,0,0,0|0,0,0]=1 10 B5R0.1 CN(C)CC=O CS-0114075 [0,1,0,0,0,0|1,0,2]=4 11 B5R0.1 CSCC(C)O CS-0265494 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.1 C[S+](C)CCCl CS-0660802 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.1 NCCC(F)F CS-0112580 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.2 C#CCCNC CS-0891238 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.2 C#CCCNN CS-0905046 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.2 C=CCCCO CS-W011355 [0,1,0,0,0,0|0,0,1]=2 17 B5R0.2 N#CCCCN CS-0343605 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.2 N#CCCCO CS-W001264 [0,1,0,0,0,0|0,0,1]=2 19 B5R0.2 [N-]=[N+]=NCCO CS-0148425 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.3 BrCC(Br)CBr CS-0040066 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.3 CCC(F)CN CS-0104693 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.3 CCC(I)CC CS-0236902 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,1,0,0,0,0|0,0,0]=1 24 B5R0.3 N[C@@H](CO)CF CS-0567197 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.3 N[C@H](CO)CF CS-0312195 [0,1,0,0,0,0|1,0,0]=2 26 B5R0.3 OCC(Cl)CCl CS-0128320 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.3 OC[C@H](O)CF CS-0022569 [0,1,0,0,0,0|1,0,0]=2 28 B5R1.2 O=C1CCO1 CS-0030919 [0,0,0,1,0,0|1,0,1]=3 29 B5R1.4 N[C@@H]1C[C@H]1F CS-0143345 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.4 N[C@H]1C[C@@H]1F CS-0143348 [0,0,0,1,0,0|2,0,0]=3 31 B4R0.1 C#C[C@@H](C)N CS-0147129 [1,1,0,0,0,0|0,0,2]=4 32 B4R0.1 C[C@H](N)C#N CS-0224553 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 N=C(N)CO CS-0043490 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 O=C(O)CO CS-W016683 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.1 CCC(=O)CC#N CS-0084645 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.1 CCC(=O)CSC CS-0434652 [0,2,0,0,0,0|0,1,1]=4 37 B6R0.1 CCC(O)CC#N CS-0258400 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 CCC(O)CNC CS-0225521 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.1 COC(=O)CSC CS-W013574 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.1 COC[C@H](C)CO CS-0145677 [0,2,0,0,0,0|0,0,0]=2 42 B6R0.1 COC[C@H](N)CO CS-0201548 [0,2,0,0,0,0|0,0,0]=2 43 B6R0.1 NC(CO)CCO CS-0091333 [0,2,0,0,0,0|0,0,0]=2 44 B6R0.1 OC(CBr)CCBr CS-0449071 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,2,0,0,0,0|0,0,0]=2 46 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.2 CC(N)CN(C)C CS-B1299 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,2,0,0,0,0|0,0,1]=3 50 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.4 C#CCCN(C)C CS-0966990 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(C)CCCN CS-0252871 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.4 CNCCC(C)O CS-0459922 [0,2,0,0,0,0|0,0,0]=2 54 B6R0.4 CSCCC(C)O CS-0242060 [0,2,0,0,0,0|0,0,0]=2 55 B6R0.4 O=C(O)CCCF CS-0491783 [0,2,0,0,0,0|0,0,1]=3 56 B6R0.5 CC(C)(C)CCN CS-0036014 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.5 CS(=N)(=O)CCO CS-0434884 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.5 O=S(=O)(O)CCO CS-W018254 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.6 BrCCNCCBr CS-D1601 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.6 C#CCCCC#N CS-0196806 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.6 C#CCCCCBr CS-0248001 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.6 C#CCCNCC CS-0891938 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.6 CCCCCCO CS-0076046 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.6 NCCOCCN CS-W006284 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.6 NCCOCCS CS-0115806 [0,2,0,0,0,0|0,1,0]=3 66 B6R0.6 [N-]=[N+]=NCCCBr CS-0567271 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.8 CC(F)(CO)CO CS-0254482 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.9 CNC(CO)CO CS-0653184 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.9 COC(CN)CO CS-0074707 [0,2,0,0,0,0|1,0,0]=3 70 B6R1.2 CC1NCCS1 CS-0206098 [0,1,0,1,0,0|0,1,0]=3 71 B6R1.2 CN1CCOC1 CS-0247959 [0,1,0,1,0,0|1,0,0]=3 72 B6R1.2 NC1CSSC1 CS-0342808 [0,1,0,1,0,0|1,1,0]=4 73 B6R1.2 NN1CCCC1 CS-W001610 [0,1,0,1,0,0|1,0,0]=3 74 B6R1.2 O=C1CCCS1 CS-0120136 [0,1,0,1,0,0|0,0,2]=4 75 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|1,0,0]=3 76 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,1,0,1,0,0|0,0,0]=2 77 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,1,0,0|1,0,0]=3 79 B6R1.5 OC1CC(F)C1 CS-W000143 [0,1,0,1,0,0|0,0,0]=2 80 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,1,0,0|0,0,0]=2 81 B6R1.10 CC1(N)COC1 CS-W008280 [0,1,0,1,0,0|2,0,0]=4 82 B6R1.10 N=S1(=O)CCC1 CS-0134180 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [0,1,0,1,0,0|0,0,0]=2 84 B6R1.1 C1C[Se]CCN1 CS-0371384 [0,1,0,1,0,0|0,1,0]=3 85 B6R1.4 CC1CCC1=O CS-0611562 [0,1,0,1,0,0|0,0,1]=3 86 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.6 N#C[C@H]1CCN1 CS-0172824 [0,1,0,1,0,0|1,0,1]=4 89 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,1,0,1,0,0|0,0,0]=2 90 B6R1.6 OC[C@H]1CCN1 CS-0053482 [0,1,0,1,0,0|0,0,0]=2 91 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,1,0,1,0,0|2,0,0]=4 92 B6R1.7 CNC1(C)CC1 CS-0529677 [0,1,0,1,0,0|2,0,0]=4 93 B6R1.7 NCC1(F)CC1 CS-0184415 [0,1,0,1,0,0|1,0,0]=3