0 B9R0.45 BrCCCCCCCCBr 3905 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCCCCBr 3809 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCCCCCCCI 3958 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 ICCCCCCCCI 3851 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 NCCCCNCCCN 36192 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.45 NCCNCCNCCN 21105 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.45 NCCOCCOCCO 35409 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 OCCCCCCCCO 36148 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.4 BrCCCCCCCBr 3887 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.4 CCCCCCCCI 3959 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.4 CCCOCCCCCl 1931 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.4 OCCCCCCCO 11489 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.85 ClCCN1CCCCCC1 21389 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.85 NCCN1CCCCCC1 23366 [0,0,0,1,0,0|2,0,0]=3 14 B7R0.1 BrCCCCCCBr 3894 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.1 CCCCCCCBr 3775 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.1 CCCCCCCI 3944 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.1 CCOCCCCCl 1933 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.1 ICCCCCCI 3846 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.1 NCCCCCCO 13750 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.1 NCC[Se][Se]CCN 30278 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.1 OCCCCCCCl 16921 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 BrCCN1CCOCC1 25760 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.8 C#CCN1CCNCC1 34188 [1,0,0,1,0,0|1,0,1]=4 24 B9R1.8 C=CCN1CCNCC1 9243 [1,0,0,1,0,0|1,0,1]=4 25 B9R1.8 CCCC1CCNCC1 2452 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.8 CCCC1CCNCC1 2489 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.8 CCC[C@@H]1CCCCN1 15600 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.8 CCC[C@H]1CCCCN1 15602 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.8 CCOC1CCCNC1 31884 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.8 ClCCN1CCCCC1 6742 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.8 ClCCN1CCCCC1 7730 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 ClCCN1CCNCC1 21370 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.8 ClCCN1CCOCC1 35178 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 ClCCN1CCOCC1 35208 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 NCCC1CCCCO1 17887 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 NCCC1CCOCC1 9727 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 NCCC1CCOCC1 9732 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 NCCN1CCNCC1 8568 [1,0,0,1,0,0|0,0,0]=2 39 B9R1.8 NCCN1CCOCC1 14463 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.8 OCCC1CCCCN1 7711 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 OCCC1CCNCC1 6947 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 OCCN1CCNCC1 8567 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.8 OCCN1CCSCC1 15774 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 OCC[C@@H]1COCCN1 11409 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 OCC[C@@H]1COCCN1 16822 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 OCC[C@H]1COCCN1 11410 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCC[C@H]1COCCN1 16823 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.14 CCN1CCCC1CN 18591 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.14 CCN1CCC[C@@H]1CN 11067 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.14 CCN1CCC[C@H]1CN 18590 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.33 NCCN1CCNC1=O 23960 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.103 C1CNCCNCCN1 16149 [1,0,0,1,0,0|0,0,0]=2 53 B9R1.103 C1CNCCNCCN1 21332 [1,0,0,1,0,0|0,0,0]=2 54 B11R1.117 NCCN1CCCCCCC1 23932 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.17 CC1CCCCN1CCCN 20240 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.28 NCCCNC1CCCCC1 20249 [0,1,0,1,0,0|2,0,0]=4 57 B11R2.20 C1CCN2CCNCC2C1 17670 [0,0,0,2,0,0|2,0,0]=4