0 B6R1.2 BrC1=CSC=C1 CS-W009226 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 ClC1=CSC=N1 CS-W022167 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 IC1=CSC=C1 CS-W004948 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 NC1=CSC=C1 CS-D0330 [0,0,0,0,0,0|1,0,3]=4 6 B6R1.2 NC1=NCCC1 CS-B0123 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,0,0,0|1,1,1]=3 8 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,0,0,0|0,0,0]=0 9 B6R1.2 O=C1NCCN1 CS-0075560 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 O=C1OCCO1 CS-0017611 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,0,0,0|1,0,2]=3 12 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.1 COC1=NCCC1 CS-W022401 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,0,0,0|1,1,1]=4 16 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,0,0,0|0,1,2]=4 17 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.2 NC1=NC(=O)CS1 CS-W005207 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,0,0,0|1,0,2]=4 20 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.1 CC(=O)CCO CS-0044370 [0,0,1,0,0,0|0,1,0]=2 32 B5R0.1 CC(=O)\C=N\O CS-0047592 [0,0,1,0,0,0|1,1,1]=4 33 B5R0.1 CC(N)CCO CS-W004841 [0,0,1,0,0,0|1,1,1]=4 34 B5R0.1 CCOC(C)=N CS-W008601 [0,0,1,0,0,0|3,0,0]=4 35 B5R0.1 CNCC(=N)O CS-W011178 [0,0,1,0,0,0|2,0,1]=4 36 B5R0.1 COC[C@@H](C)O CS-0019059 [0,0,1,0,0,0|0,1,2]=4 37 B5R0.1 N#CCC(N)=O CS-0006665 [0,0,1,0,0,0|2,0,1]=4 38 B5R0.2 C=CCCCO CS-W011355 [0,0,1,0,0,0|3,0,0]=4 39 B5R0.2 COCCC#N CS-0030563 [0,0,1,0,0,0|1,1,1]=4 40 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,1,0,0,0|3,0,0]=4 41 B5R0.3 C=C(CO)CO CS-W009247 [0,0,1,0,0,0|2,1,0]=4 42 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,1,0,0,0|1,1,1]=4 43 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,1,0,0,0|1,1,1]=4 44 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,1,0,0,0|2,0,0]=3 45 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,1,0,0,0|2,0,0]=3 46 B5R0.3 COC(=O)CN CS-W018508 [0,0,1,0,0,0|2,0,0]=3 47 B5R0.3 COC(=O)NN CS-0015902 [0,0,1,0,0,0|3,0,0]=4 48 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,0,1,0|2,0,1]=4 49 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,0,0,1|2,0,1]=4 50 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,0,0,1|2,0,0]=3 51 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,0,0,1|2,0,1]=4 52 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,0,0,1|2,0,1]=4 53 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,0,0,1|2,0,1]=4 54 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,0,0,1|2,0,1]=4 55 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,0,0,1|1,0,0]=2 56 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,0,0,1|0,1,0]=2 57 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,0,0,1|1,0,2]=4 58 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,0,0,1|0,1,2]=4 59 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,0,0,1|2,0,1]=4 60 B4R0.1 CC(=O)NN CS-D1403 [1,0,1,0,0,0|2,0,0]=4 61 B4R0.1 CCC(=N)O CS-W016688 [1,0,1,0,0,0|1,0,1]=4 62 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,1,0,0,0|1,0,1]=4 63 B4R0.1 CSC(=N)N CS-0011749 [1,0,1,0,0,0|2,0,0]=4 64 B4R0.1 NCC(N)=O CS-W019695 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,1,0,0,0|1,0,1]=4 67 B6R0.1 COC(=O)CCS CS-0000049 [0,1,1,0,0,0|0,0,0]=2 68 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,1,0,0,0|2,0,0]=4 69 B6R0.1 COCC(=O)NN CS-W005634 [0,1,1,0,0,0|1,1,0]=4 70 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [0,1,1,0,0,0|1,0,1]=4 71 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [0,1,1,0,0,0|1,0,1]=4 72 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,1,1,0,0,0|2,0,0]=4 73 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,1,1,0,0,0|2,0,0]=4 74 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,1,0,0,0|1,1,0]=4 75 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,1,0,0,0|2,0,0]=4 76 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,1,0,0,0|1,0,0]=3 77 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,1,0,0,0|1,0,0]=3 78 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,1,0,0,0|2,0,0]=4 79 B6R0.4 COCCC(=O)O CS-W009112 [0,1,1,0,0,0|1,1,0]=4 80 B6R0.6 C=CCCCCBr CS-W008939 [0,1,1,0,0,0|2,0,0]=4 81 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,1,0,0,0|2,0,0]=4 82 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,0,1,0|0,0,2]=4 83 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,0,1,0|1,0,1]=4 84 B8R1.2 O=CN1CCOCC1 CS-W016603 [0,1,0,0,0,1|1,1,0]=4 85 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,0,0,1|1,0,0]=3 86 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,0,0,1|1,0,0]=3 87 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,1,0,0,0,1|1,0,1]=4 88 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,0,0,1|0,0,2]=4 89 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,0,0,1|1,0,0]=3 90 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,0,0,1|1,0,1]=4 91 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,0,0,1|1,0,0]=3 92 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,0,0,1|1,0,0]=3 93 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,0,0,1|1,0,0]=3 94 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,2,0,0,0,0|1,0,1]=4 96 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,2,0,0,0,0|1,0,1]=4 97 B8R1.11 CCN1CCCC1=O CS-W013650 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.50 O=C1CCC(=O)N1Br CS-W008781 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.51 NC1CCS(=O)(=O)C1 CS-W005500 [0,2,0,0,0,0|2,0,0]=4 102 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,1,1,0,0|2,0,0]=4 103 B6R1.1 C1CSCCN1 CS-W007359 [0,0,1,1,0,0|1,0,1]=4 104 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,0,0,2|1,0,0]=3