0 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 COC(=O)CC#N CS-W016657 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 COC(=O)CCS CS-0000049 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 COC(=O)OCCl CS-0067504 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 COC(C)CCO CS-W013686 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 COCC(=O)NN CS-W005634 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCOC(C)=N CS-W008601 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CNCC(=N)O CS-W011178 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 COC[C@@H](C)O CS-0019059 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 N#CCC(N)=O CS-0006665 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 CNC(=O)CBr CS-0023001 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 CNC(=O)CCl CS-W007769 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 COC(=O)CN CS-W018508 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.3 COC(=O)NN CS-0015902 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|0,0,0]=1 23 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|0,0,2]=3 24 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,0,0,0,0|0,0,2]=3 25 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,1,0,0,0,0|0,0,0]=1 31 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.12 COC(CCBr)OC CS-W023200 [0,1,0,0,0,0|1,0,2]=4 35 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|1,0,0]=2 36 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 CSC1=NCCN1 CS-W010263 [0,0,0,1,0,0|2,1,0]=4 38 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.4 NC1CCNC1=O CS-0113495 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.4 NN1CCCC1=O CS-D0019 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,0,0,1,0,0|3,0,0]=4 48 B4R0.1 CC(=O)NN CS-D1403 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CCC(=N)O CS-W016688 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.1 CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 COC(=N)N CS-W019574 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 NCC(N)=O CS-W019695 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [1,1,0,0,0,0|0,0,2]=4 55 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [1,1,0,0,0,0|0,0,2]=4 56 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|0,0,0]=2 57 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|0,0,0]=2 58 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.4 CC(=O)OCCBr CS-W007598 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.4 CCCOC(N)=O CS-W019060 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,0,0]=2 66 B6R0.4 N=C(O)NCCO CS-W011301 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.5 O=S(=O)(O)CCO CS-W019640 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.9 CCN(C=O)CC CS-W009551 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.2 COC(=O)C(N)C(C)O CS-W022797 [0,2,0,0,0,0|0,0,0]=2 70 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|0,0,0]=2 72 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|0,0,2]=4 75 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|0,0,1]=3 76 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|0,0,0]=2 77 B8R0.3 C=C(CO)C(=O)OCC CS-W005253 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,2,0,0,0,0|0,0,1]=3 81 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|0,0,2]=4 82 B8R0.20 COC(=O)C(OC)OC CS-W011071 [0,2,0,0,0,0|1,0,0]=3 83 B6R1.2 NC1=NCCC1 CS-B0123 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.2 O=C1NCCN1 CS-0075560 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.2 O=C1OCCO1 CS-0017611 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|0,0,0]=2 88 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,1,0,0|0,0,1]=3 96 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|0,0,2]=4 97 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.5 NC1CCCNC1=O CS-D0182 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.5 O=C1CCNCC1F CS-0044438 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,1,0,1,0,0|0,0,0]=2 104 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,1,0,1,0,0|0,0,0]=2 105 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|1,0,0]=3