0 B9R0.52 O=P(O)(O)OC(CO)CO MCULE-1434916971 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.52 O=P([O-])([O-])OC(CO)CO MCULE-3080779475 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.52 O=P([O-])([O-])OC(CO)CO MCULE-9459425617 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.95 O=C(O)C(CO)OP(=O)(O)O MCULE-7283219699 [0,1,0,0,0,0|0,0,1]=2 12 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [2,0,0,0,0,0|2,0,0]=4 13 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.12 OCCC(CO)CO MCULE-7198799967 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [2,0,0,0,0,0|1,0,1]=4 24 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [1,1,0,0,0,0|0,0,1]=3 25 B9R0.72 CCC(C(=O)O)P(=O)(O)O MCULE-5080348929 [0,1,0,0,1,0|1,0,1]=4 26 B11R0.365 NC(CO)(CO)COP(=O)(O)O MCULE-5518827204 [0,1,0,0,0,1|0,0,0]=2 27 B11R0.230 COP(=O)(CC(CO)CO)OC MCULE-8194537883 [0,2,0,0,0,0|1,0,0]=3 28 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [1,0,0,1,0,0|2,0,0]=4 37 B11R1.374 OC[C@H]1OC([C@H]([C@@H]1O)O)(O)O MCULE-2068211832 [0,1,0,1,0,0|1,0,1]=4 38 B11R1.374 OC[C@H]1OC([C@H]([C@@H]1O)O)(O)O MCULE-4843625718 [0,1,0,1,0,0|1,0,1]=4 39 B11R1.374 OC[C@H]1OC([C@H]([C@@H]1O)O)(O)O MCULE-5796022075 [0,1,0,1,0,0|1,0,1]=4 40 B11R1.374 OC[C@H]1OC([C@H]([C@@H]1O)O)(O)O MCULE-5902930606 [0,1,0,1,0,0|1,0,1]=4 41 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [1,0,0,0,1,0|2,0,0]=4 42 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [1,0,0,0,1,0|2,0,0]=4 43 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,0,0,0,1,0|2,0,0]=4 44 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,0,0,0,1,0|2,0,0]=4 45 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,0,0,0,1,0|2,0,0]=4 46 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,0,0,0,1,0|2,0,0]=4 47 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,0,0,0,1,0|2,0,0]=4 48 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,0,0,0,1,0|2,0,0]=4 50 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [1,0,0,0,1,0|0,1,1]=4 51 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [1,0,0,0,1,0|2,0,0]=4 52 B9R0.21 CC(CO)OOP(=O)([O-])[O-] MCULE-4051816458 [1,0,0,0,0,1|0,0,2]=4 53 B9R0.21 CC(CO)OOP(=O)([O-])[O-] MCULE-6532139475 [1,0,0,0,0,1|0,0,2]=4 54 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [1,0,0,0,0,1|0,0,2]=4 55 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [1,0,0,0,0,1|0,0,2]=4 56 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [1,0,0,0,0,1|0,0,2]=4 57 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [1,0,0,0,0,1|0,0,0]=2 58 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [1,0,0,0,0,1|0,0,0]=2 59 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [1,0,0,0,0,1|0,0,0]=2 60 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [1,0,0,0,0,1|0,0,0]=2 61 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-2352146905 [1,0,0,0,0,1|0,0,2]=4 62 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-3488485861 [1,0,0,0,0,1|0,0,2]=4 63 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-7773588631 [1,0,0,0,0,1|0,0,2]=4 64 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-9975857262 [1,0,0,0,0,1|0,0,2]=4