0 B6R1.2 CC1=NSC=C1 CS-0340795 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CN1CCOC1 CS-0247959 [0,0,0,0,0,0|2,1,0]=3 2 B6R1.2 NC1=CSN=C1 CS-0040497 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 NC1CSSC1 CS-0342808 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 NN1CCCC1 CS-W001610 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 O=C1CCCS1 CS-0120136 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 S=C1C=CSS1 CS-0145792 [0,0,0,0,0,0|1,1,2]=4 7 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.1 FCC1CCNC1 CS-0614521 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.1 NOC1CCCC1 CS-0634533 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,0,0,0|0,1,2]=4 12 B7R1.2 CN1CCC(N)C1 CS-W003707 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.2 C[C@@H]1C[C@@H](F)CN1 CS-0567283 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.2 C[C@@H]1C[C@H](F)CN1 CS-0567284 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.2 C[C@H]1C[C@@H](F)CN1 CS-0626231 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.2 C[C@H]1C[C@H](F)CN1 CS-0626227 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.2 NC1=NC(=O)CS1 CS-0033772 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.2 NC1=NCC(=O)S1 CS-B1693 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 NC1CCC(F)C1 CS-0474191 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@@H]1CC[C@@H](F)C1 CS-0645147 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.2 N[C@@H]1CC[C@H](F)C1 CS-0437023 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.2 N[C@H]1CC[C@@H](F)C1 CS-0053565 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.2 N[C@H]1CC[C@H](F)C1 CS-0645145 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.2 O=C1C=C(I)CC1 CS-0611577 [0,1,0,0,0,0|1,0,1]=3 28 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.4 C=C1COCC1N CS-0434887 [0,1,0,0,0,0|1,1,0]=3 30 B7R1.4 CN1CNCC1=O CS-0620292 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,0,0,0|1,1,1]=4 33 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0139374 [0,1,0,0,0,0|0,1,2]=4 34 B7R1.4 N[C@H]1COC[C@@H]1F CS-0183120 [0,1,0,0,0,0|1,1,1]=4 35 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,1,0,0,0,0|0,1,2]=4 36 B7R1.4 O=C1NCCC1F CS-0467788 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.4 O[C@H]1CCC[C@H]1O CS-0132323 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(F)CCN CS-0104778 [0,0,1,0,0,0|2,0,1]=4 39 B5R0.1 CCC[C@@H](C)O CS-0198768 [0,0,1,0,0,0|1,0,2]=4 40 B5R0.1 CSCC(C)O CS-0265494 [0,0,1,0,0,0|0,0,2]=3 41 B5R0.1 C[S+](C)CCCl CS-0660802 [0,0,1,0,0,0|3,0,0]=4 42 B5R0.2 C#CCCNC CS-0891238 [0,0,1,0,0,0|2,0,1]=4 43 B5R0.2 C=CCCCO CS-W011355 [0,0,1,0,0,0|3,0,0]=4 44 B5R0.3 CCC(F)CN CS-0104693 [0,0,1,0,0,0|2,0,1]=4 45 B5R0.3 CCC(I)CC CS-0236902 [0,0,1,0,0,0|2,0,1]=4 46 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,0,1,0,0,0|1,1,1]=4 47 B5R1.2 O=C1CCO1 CS-0030919 [0,0,0,0,1,0|0,1,0]=2 48 B7R1.3 C=C1CCNCC1 CS-0642791 [0,0,0,0,0,1|2,0,0]=3 49 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,0,0,1|2,0,0]=3 50 B7R1.3 NC1CCNCC1 CS-0069687 [0,0,0,0,0,1|2,0,1]=4 51 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,0,0,0,0,1|2,0,1]=4 52 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,0,0,1|1,0,1]=3 53 B7R1.3 O=C1C=CNCC1 CS-0227023 [0,0,0,0,0,1|1,0,1]=3 54 B4R0.1 NC(=O)CCl CS-W011345 [1,0,1,0,0,0|2,0,0]=4 55 B4R0.1 O=C(O)CO CS-W016683 [1,0,1,0,0,0|1,1,0]=4 56 B6R0.1 CCC(=O)CC#N CS-0084645 [0,1,1,0,0,0|1,0,1]=4 57 B6R0.1 CCC(=O)CSC CS-0434652 [0,1,1,0,0,0|0,0,0]=2 58 B6R0.1 COC(=O)CSC CS-W013574 [0,1,1,0,0,0|0,0,0]=2 59 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,1,1,0,0,0|1,0,1]=4 60 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,1,1,0,0,0|2,0,0]=4 61 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,1,1,0,0,0|2,0,0]=4 62 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,1,1,0,0,0|1,0,0]=3 63 B6R0.4 CSCCC(C)O CS-0242060 [0,1,1,0,0,0|0,0,2]=4 64 B6R0.4 O=C(O)CCCF CS-0491783 [0,1,1,0,0,0|2,0,0]=4 65 B6R0.5 CS(=N)(=O)CCO CS-0434884 [0,1,1,0,0,0|1,1,0]=4 66 B6R1.4 CC1CCC1=O CS-0611562 [0,1,0,0,1,0|0,0,0]=2 67 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,1,0,0,1,0|0,0,2]=4 68 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [0,1,0,0,1,0|1,0,0]=3 69 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,1,0,0,1,0|1,0,0]=3 70 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [0,1,0,0,1,0|1,0,1]=4 71 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,0,1,0|1,0,1]=4 72 B6R1.5 OC1CC(F)C1 CS-W000143 [0,1,0,0,1,0|0,0,2]=4 73 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,0,1,0|0,0,2]=4 74 B6R1.10 N=S1(=O)CCC1 CS-0134180 [0,1,0,0,1,0|1,0,0]=3 75 B8R1.2 N#CC1=CCNCC1 CS-0225094 [0,1,0,0,0,1|2,0,0]=4 76 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,1,0,0,0,1|1,0,0]=3 77 B8R1.4 O=C1CCNC(=O)O1 CS-0736575 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,0,0,1|1,0,0]=3 79 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,1,0,0,0,1|1,0,0]=3 80 B8R1.72 CP1(=O)CCNCC1 CS-0132047 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.1 C=CC1CCC(=O)N1 CS-0315611 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.7 CC(=O)C1CCOC1 CS-W004273 [0,2,0,0,0,0|0,1,1]=4 89 B8R1.11 COC1CCCC1=O CS-0432948 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.11 N#CC1CSCC1=O CS-W016559 [0,2,0,0,0,0|0,0,0]=2 91 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,2,0,0,0,0|0,1,0]=3 92 B8R1.18 CC1SC(N)=NC1=O CS-0664209 [0,2,0,0,0,0|1,0,1]=4 93 B8R1.18 O=C1NC(=O)C(Br)S1 CS-0067344 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.50 CN1CC[C@@H](N)C1=O CS-0435485 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [0,2,0,0,0,0|1,1,0]=4 96 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,0,0,0,0,2|0,1,0]=3