0 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.351 [C@H](N)(CCC1=CC=CC=C1)C(C)=O DB07913 [0,1,0,0,0,0|1,0,0]=2 2 B13R1.513 [P@@H](=O)([O-])CCOC1=CC=C(C)C=C1 DB07103 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.718 OCN(O)CCCC1=CC=CC=C1 DB08523 [0,1,0,0,0,0|1,0,1]=3 4 B13R1.3523 O=S(=O)(O)CCNC1=CC=CC=C1 DB02283 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.10 NC1=NCC(C2=CC=CC=C2)O1 DB01490 [0,0,0,1,0,0|2,0,0]=3 6 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,1,0|0,0,0]=1 7 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,0,0,0,1,0|1,0,1]=3 8 B11R1.172 O=C(O)CCCC1=CC=CS1 DB02434 [0,0,0,0,1,0|1,0,0]=2 9 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 DB04051 [0,0,0,0,0,1|0,0,0]=1 10 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,2]=4 15 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [2,0,0,0,0,0|0,0,2]=4 16 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,1,0,0,1,0|0,0,0]=2 17 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,1,0,0,1,0|0,0,0]=2 18 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,1,0,0,1,0|0,0,0]=2 19 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,1,0,0,1,0|0,0,2]=4 20 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,1,0,0,1,0|0,0,0]=2 21 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,1,0,0,1,0|0,0,2]=4 22 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,1,0,0,1,0|0,0,1]=3 23 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,1,0|1,0,1]=4 24 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,1,0,0,1,0|0,0,0]=2 25 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,1,0,0,1,0|1,0,1]=4 26 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,1,0|0,0,2]=4 28 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,1,0,0,1,0|0,0,0]=2 29 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,1,0,0,1,0|0,0,2]=4 30 B14R1.6449 CC(=O)[C@@H](N)COCC1=CC=CC=C1 DB02148 [0,1,0,0,0,1|1,0,0]=3 31 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O DB04531 [0,1,0,0,0,1|0,0,0]=2 32 B14R1.6449 O=C(O)C(=O)CCCC1=CC=CC=C1 DB08050 [0,1,0,0,0,1|0,0,0]=2 33 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(O)=C1 DB07069 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.160 NC1=CC=CC=C1C(=O)CCC(=O)O DB08060 [0,2,0,0,0,0|0,0,1]=3 35 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O DB08508 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.1025 CC1=NC(CCCN(O)C=O)=CC=C1 DB08525 [0,2,0,0,0,0|2,0,0]=4 37 B14R1.679 C1(N)C=CC(CC[C@H](N)C(=O)O)C=C1 DB02725 [0,2,0,0,0,0|0,0,2]=4 38 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,1,1,0|0,0,2]=4 39 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 DB07950 [0,0,0,1,0,1|0,0,2]=4 40 B14R2.598 CC1N=C(N)OC1C2=CC=CC=C2 DB01447 [0,1,0,1,0,0|2,0,0]=4