0 B6R1.2 BrC1CCCC1 14052 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 CC1=NCCC1 29954 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 ClC1CCCC1 26772 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 F[C@@H]1CCNC1 16524 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 F[C@H]1CCNC1 16630 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 N=C1CCCS1 02326 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 NC1CCOC1 18225 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 O=C1CCCC1 26774 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 O=C1CCCN1 26934 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 O=C1NCCN1 01974 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 O=C1NCCO1 31325 [0,0,0,0,0,0|2,1,1]=4 11 B6R1.2 O[C@@H]1CCNC1 16552 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 O[C@@H]1CCNC1 28168 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 O[C@H]1CCNC1 16510 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 S=C1NCCN1 21990 [0,0,0,0,0,0|3,0,1]=4 15 B5R1.1 C1CCOC1 00761 [1,0,0,0,0,0|1,1,0]=3 16 B5R1.1 C1CCOC1 04835 [1,0,0,0,0,0|1,1,0]=3 17 B5R1.1 C1COCO1 26865 [1,0,0,0,0,0|0,2,0]=3 18 B7R1.1 ClCC1CCNC1 20120 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.1 OCC1CCNC1 19499 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 OC[C@@H]1CCCN1 03214 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 OC[C@H]1CCCN1 03215 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.2 CN1CCC(O)C1 26861 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.4 CC1OCCC1=O 29783 [0,1,0,0,0,0|1,1,0]=3 24 B7R1.4 CN1CCCC1=O 00741 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.4 CN1CCCC1=O 30063 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.4 CN1CCSC1=S 28101 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 CCOC(C)=O 00757 [0,0,1,0,0,0|0,2,1]=4 28 B5R0.1 CCOC(C)=O 30066 [0,0,1,0,0,0|0,2,1]=4 29 B5R0.2 BrCCCCBr 07234 [0,0,1,0,0,0|3,0,0]=4 30 B5R0.2 C#CCCCC 27224 [0,0,1,0,0,0|2,0,1]=4 31 B5R0.2 CCC#CCO 27593 [0,0,1,0,0,0|1,1,1]=4 32 B5R0.2 COCCCCl 17320 [0,0,1,0,0,0|3,0,0]=4 33 B5R0.2 CSCCCO 29789 [0,0,1,0,0,0|2,1,0]=4 34 B5R0.2 NCCCCN 21982 [0,0,1,0,0,0|3,0,0]=4 35 B5R0.2 NCCCCN 21983 [0,0,1,0,0,0|3,0,0]=4 36 B5R0.2 NCCCCO 14276 [0,0,1,0,0,0|2,1,0]=4 37 B5R0.3 CCN(C)CC 22533 [0,0,1,0,0,0|3,0,0]=4 38 B5R1.2 IC1COC1 31868 [0,0,0,0,1,0|3,0,0]=4 39 B5R1.2 NC1COC1 31466 [0,0,0,0,1,0|3,0,0]=4 40 B5R1.2 OC1COC1 31486 [0,0,0,0,1,0|3,0,0]=4 41 B7R1.3 BrC1CCCCC1 26900 [0,0,0,0,0,1|3,0,0]=4 42 B7R1.3 BrC1CCCNC1 20113 [0,0,0,0,0,1|3,0,0]=4 43 B7R1.3 BrC1CCCOC1 20114 [0,0,0,0,0,1|2,1,0]=4 44 B7R1.3 BrC1CCOCC1 20248 [0,0,0,0,0,1|3,0,0]=4 45 B7R1.3 CC1CCCCN1 24503 [0,0,0,0,0,1|2,0,0]=3 46 B7R1.3 CN1CCCCC1 27069 [0,0,0,0,0,1|3,0,0]=4 47 B7R1.3 CN1CCOCC1 02333 [0,0,0,0,0,1|3,0,0]=4 48 B7R1.3 C[C@@H]1CNCCN1 30719 [0,0,0,0,0,1|2,0,0]=3 49 B7R1.3 C[C@H]1CNCCN1 30718 [0,0,0,0,0,1|2,0,0]=3 50 B7R1.3 ClC1CCCCC1 26901 [0,0,0,0,0,1|3,0,0]=4 51 B7R1.3 ClC1CCCNC1 20123 [0,0,0,0,0,1|3,0,0]=4 52 B7R1.3 ClC1CCNCC1 17350 [0,0,0,0,0,1|3,0,0]=4 53 B7R1.3 IC1CCOCC1 19007 [0,0,0,0,0,1|3,0,0]=4 54 B7R1.3 NC1CCCCC1 03599 [0,0,0,0,0,1|3,0,0]=4 55 B7R1.3 NC1CCCNC1 30331 [0,0,0,0,0,1|3,0,0]=4 56 B7R1.3 NC1CCCOC1 18227 [0,0,0,0,0,1|2,1,0]=4 57 B7R1.3 NC1CCCOC1 20873 [0,0,0,0,0,1|2,1,0]=4 58 B7R1.3 NC1CCOCC1 17091 [0,0,0,0,0,1|3,0,0]=4 59 B7R1.3 NC1CCSCC1 20875 [0,0,0,0,0,1|3,0,0]=4 60 B7R1.3 OC1CCCCC1 00484 [0,0,0,0,0,1|3,0,0]=4 61 B7R1.3 OC1CCCOC1 20872 [0,0,0,0,0,1|2,1,0]=4 62 B7R1.3 OC1CCNCC1 24505 [0,0,0,0,0,1|3,0,0]=4 63 B7R1.3 O[C@@H]1CCCNC1 29212 [0,0,0,0,0,1|3,0,0]=4 64 B7R1.3 O[C@H]1CCCNC1 29120 [0,0,0,0,0,1|3,0,0]=4 65 B4R0.1 CC(C)NN 31308 [1,0,1,0,0,0|2,0,0]=4 66 B4R0.1 CC(C)NO 31263 [1,0,1,0,0,0|2,0,0]=4 67 B4R0.1 CC(O)CO 02837 [1,0,1,0,0,0|1,1,0]=4 68 B4R0.1 CC(O)CO 30099 [1,0,1,0,0,0|1,1,0]=4 69 B4R0.1 C[C@@H](N)CO 03170 [1,0,1,0,0,0|2,0,0]=4 70 B4R0.1 C[C@@H](O)CN 16633 [1,0,1,0,0,0|1,1,0]=4 71 B4R0.1 C[C@H](N)CO 03169 [1,0,1,0,0,0|2,0,0]=4 72 B4R0.1 C[C@H](O)CN 16632 [1,0,1,0,0,0|1,1,0]=4 73 B4R0.2 C#CCCC 27222 [1,0,1,0,0,0|1,0,1]=4 74 B4R0.2 CCCCBr 24440 [1,0,1,0,0,0|1,0,0]=3 75 B4R0.2 CCNCC 14089 [1,0,1,0,0,0|1,0,0]=3 76 B4R0.2 CNCCCl 22455 [1,0,1,0,0,0|2,0,0]=4 77 B4R0.2 COCCBr 26740 [1,0,1,0,0,0|1,1,0]=4 78 B4R0.2 ClCCCBr 24449 [1,0,1,0,0,0|2,0,0]=4 79 B4R0.2 NCCCBr 15159 [1,0,1,0,0,0|2,0,0]=4 80 B4R0.2 NCCCN 24749 [1,0,1,0,0,0|2,0,0]=4 81 B4R0.2 NCCCO 15138 [1,0,1,0,0,0|1,1,0]=4 82 B4R0.2 OCCCBr 24461 [1,0,1,0,0,0|1,1,0]=4 83 B4R0.2 OCCCO 24462 [1,0,1,0,0,0|1,1,0]=4 84 B6R0.1 CCC[C@@H](N)CO 16570 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.1 CCC[C@H](N)CO 16550 [0,1,1,0,0,0|2,0,0]=4 86 B6R0.2 CC(C)NC(C)C 00951 [0,1,1,0,0,0|2,0,0]=4 87 B6R0.2 CC(C)NC(C)C 00961 [0,1,1,0,0,0|2,0,0]=4 88 B6R0.2 CC(C)OC(C)C 29985 [0,1,1,0,0,0|1,1,0]=4 89 B6R0.4 CC(C)NCCN 22357 [0,1,1,0,0,0|2,0,0]=4 90 B6R0.4 CCCNC(C)C 22381 [0,1,1,0,0,0|2,0,0]=4 91 B6R0.6 CCC#CCCO 26852 [0,1,1,0,0,0|1,1,0]=4 92 B6R0.6 CCCCCC=O 24524 [0,1,1,0,0,0|1,1,0]=4 93 B6R0.6 CC\C=C/CCO 29788 [0,1,1,0,0,0|1,1,0]=4 94 B6R0.6 ClCCOCCCl 32063 [0,1,1,0,0,0|1,1,0]=4 95 B6R0.6 NCCCCCO 15142 [0,1,1,0,0,0|1,1,0]=4 96 B6R0.6 OCCCCCO 01575 [0,1,1,0,0,0|1,1,0]=4 97 B6R0.8 COC(C)(C)OC 27179 [0,1,1,0,0,0|0,2,0]=4 98 B6R0.9 COC(CBr)OC 26739 [0,1,1,0,0,0|0,2,0]=4 99 B6R0.9 COC(CN)OC 21988 [0,1,1,0,0,0|0,2,0]=4 100 B6R1.5 CN1CC(N)C1 19363 [0,1,0,0,1,0|2,0,0]=4 101 B6R1.6 COC1CNC1 20140 [0,1,0,0,1,0|2,0,0]=4 102 B6R1.6 NNC1CCC1 18184 [0,1,0,0,1,0|2,0,0]=4 103 B6R1.6 OCC1COC1 31941 [0,1,0,0,1,0|2,0,0]=4 104 B8R1.2 CNC1CCNCC1 20318 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.2 CNC1CCOCC1 17536 [0,1,0,0,0,1|2,0,0]=4 106 B8R1.2 CNC1CCOCC1 19444 [0,1,0,0,0,1|2,0,0]=4 107 B8R1.2 COC1CCNCC1 20310 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.2 NCC1CCCCO1 19333 [0,1,0,0,0,1|1,1,0]=4 109 B8R1.2 NCC1CCCOC1 17780 [0,1,0,0,0,1|1,1,0]=4 110 B8R1.2 NCC1COCCO1 17221 [0,1,0,0,0,1|0,2,0]=4 111 B8R1.2 OCC1CCNCC1 28956 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.4 CC1CNCC(C)C1 26975 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.4 C[C@H]1CCC[C@@H](C)N1 27784 [0,1,0,0,0,1|2,0,0]=4 114 B8R1.72 CC1(C)CNCCN1 17960 [0,1,0,0,0,1|2,0,0]=4 115 B8R1.72 CC1(O)CCCNC1 26715 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.72 CC1(O)CCNCC1 26716 [0,1,0,0,0,1|2,0,0]=4 117 B8R1.7 CC(C)C1CCCN1 23556 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.8 COC[C@@H]1CCCN1 06620 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.8 COC[C@H]1CCCN1 12146 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.8 NCCC1CCCC1 18718 [0,2,0,0,0,0|2,0,0]=4 121 B6R1.1 C1CCNCC1 02351 [0,0,1,1,0,0|2,0,0]=4 122 B6R1.1 C1CNCCN1 06899 [0,0,1,1,0,0|2,0,0]=4 123 B6R1.1 C1CSCCN1 22053 [0,0,1,1,0,0|1,0,0]=3 124 B4R1.2 NC1CC1 22602 [0,0,0,0,2,0|1,0,0]=3