0 B7R0.3 CCCCC(O)CO DB14108 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCNC(=O)OC DB03919 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 CCOC(=O)NC DB02856 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.4 CCCCB(O)O DB02664 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CCCCC(=O)O DB02406 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 CCCOC(C)=O DB01670 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.6 NCCCCCN DB03854 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.6 CCCCNC(=N)NO DB02727 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.8 CSCCC(=O)C(=O)O DB02238 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.9 O=C(O)CCC(=O)CF DB02828 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.2 [NH3+]CC1CCCCC1 DB02435 [0,0,0,1,0,0|2,0,1]=4 12 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,0]=3 13 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|1,0,0]=3 14 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3 15 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CSC[S@](C)=O DB02311 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,0]=2 22 B5R0.2 CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.2 CCOCCO DB02249 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 COCCOC DB01749 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.2 NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.2 [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.2 [NH3+]CCCCO DB02541 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 O=C(CO)CO DB01775 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.7 CCO[PH](=O)OCC DB02811 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.6 CC(=O)CCC(=O)O DB02239 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.6 CC(C)CCC(=O)O DB03993 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.8 CCCCP(=O)(O)O DB03999 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.1 NCCCCCCN DB03260 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.1 OCCCCCCBr DB04637 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.1 OCCCCCCO DB02210 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.5 O=CCCSC(=O)CC[S-] DB04749 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.8 [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|0,0,2]=4 42 B9R0.23 CC(C)C[C@H](N)C(=O)NO DB03308 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO DB03947 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.21 CCC(=O)CCC(C)(C)O DB03711 [0,2,0,0,0,0|0,0,0]=2 45 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|0,0,0]=2 46 B7R1.3 OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,2]=4 47 B7R1.3 [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.4 N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.27 CCN1C(=O)CCC1=O DB01902 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.138 CN1C(=O)CCC1(C)C DB03968 [0,1,0,1,0,0|1,0,0]=3 51 B9R2.39 [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|0,0,0]=2