0 B5R0.1 CC(F)CCN CS-0104778 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC(N)CC#N CS-W020282 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CCC[C@@H](C)O CS-0198768 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CN(C)CC=O CS-0114075 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 CSCC(C)O CS-0265494 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C[S+](C)CCCl CS-0660802 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 NCCC(F)F CS-0112580 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 C[SH](C)[Au]Cl CS-0035256 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 N=C(N)CO CS-0043490 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 O=C(O)CO CS-W016683 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 OCC#CI CS-0375727 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 COC[C@H](C)CO CS-0145677 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.1 NC(CO)CCO CS-0091333 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 OC(CBr)CCBr CS-0449071 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.2 CC(N)CN(C)C CS-B1299 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.4 C#CCCN(C)C CS-0966990 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.4 CC(C)CCCN CS-0252871 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 CNCCC(C)O CS-0459922 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.4 CSCCC(C)O CS-0242060 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.5 CC(C)(C)CCN CS-0036014 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.5 CS(=N)(=O)CCO CS-0434884 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.5 O=S(=O)(O)CCO CS-W018254 [0,1,0,0,0,0|3,0,0]=4 25 B6R1.2 CN1CCOC1 CS-0247959 [0,0,0,1,0,0|0,0,0]=1 26 B6R1.2 NN1CCCC1 CS-W001610 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.3 NNCC1CC1 CS-0053098 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.5 OC1CC(F)C1 CS-W000143 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [0,0,0,1,0,0|3,0,0]=4 34 B3R0.1 CCCN CS-0163446 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.1 NCCI CS-0286771 [2,0,0,0,0,0|1,0,0]=3 36 B3R0.1 NCCN CS-0468678 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.2 C[SiH](C)C CS-0612465 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 CCC(F)CN CS-0104693 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.3 CCC(I)CC CS-0236902 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.3 CC[C@@H](C)CO CS-0616929 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.3 N[C@@H](CO)CF CS-0567197 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.3 N[C@H](CO)CF CS-0312195 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.3 OCC(Cl)CCl CS-0128320 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.3 OC[C@H](O)CF CS-0022569 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.2 C#CCCNC CS-0891238 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.2 C#CCCNN CS-0905046 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.2 N#CCCCO CS-W001264 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.2 [N-]=[N+]=NCCO CS-0148425 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.2 CC(C)OC(=O)CO CS-0154171 [0,2,0,0,0,0|1,0,1]=4 52 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [0,2,0,0,0,0|0,0,0]=2 53 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.3 COC(=O)CCCO CS-0042326 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.5 COCC(=O)C(C)C CS-0310664 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.11 C[N+](C)(CF)CCO CS-0028197 [0,2,0,0,0,0|0,0,1]=3 58 B7R0.15 CC(C)C(CO)CO CS-0143428 [0,2,0,0,0,0|1,0,0]=3 59 B7R0.4 C#CCCCN(C)C CS-0966989 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.4 C#CCCNC(C)C CS-0850466 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.4 CC(=O)CCCCO CS-0514254 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.8 CC(C)(C)OCCI CS-0308654 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.8 CC(C)(C)SCCI CS-0202166 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [0,2,0,0,0,0|2,0,0]=4 68 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.1 FCC1CCNC1 CS-0614521 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.2 CN1CCC(N)C1 CS-W003707 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.2 C[C@@H]1C[C@@H](F)CN1 CS-0567283 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.2 C[C@@H]1C[C@H](F)CN1 CS-0567284 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.2 C[C@H]1C[C@@H](F)CN1 CS-0626231 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.2 C[C@H]1C[C@H](F)CN1 CS-0626227 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.3 CC1=NCCCC1 CS-1176015 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.4 C=C1COCC1N CS-0434887 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.4 CN1CNCC1=O CS-0620292 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0139374 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.4 N[C@H]1COC[C@@H]1F CS-0183120 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.21 NC1(CCO)CC1 CS-0183342 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.16 CC1(O)CC(N)C1 CS-0057120 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.16 C[C@]1(F)C[C@H](N)C1 CS-0199708 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.16 C[C@]1(O)C[C@H](N)C1 CS-0047779 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.18 C[C@@H](O)C1COC1 CS-0309420 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.7 OCCOC1CC1 CS-0432950 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.14 C[C@]1(O)CNOC1 CS-0379936 [0,1,0,1,0,0|2,0,0]=4