0 B9R0.21 CC(C)(C)OCC(O)CO MCULE-1874240697 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.21 CC(CO)OOP(=O)([O-])[O-] MCULE-4051816458 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.21 CC(CO)OOP(=O)([O-])[O-] MCULE-6532139475 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.21 O=C(CO)COP(=O)([O-])[O-] MCULE-1009530625 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-2352146905 [0,0,0,0,0,0|0,0,2]=2 12 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-3488485861 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-7773588631 [0,0,0,0,0,0|0,0,2]=2 14 B9R0.21 O=P([O-])([O-])OCC(O)CO MCULE-9975857262 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.21 O=S(=O)(O)NCC(O)CCl MCULE-2572624591 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.21 N#CCCOP(=O)(O)O MCULE-3863159262 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.21 O=S(=O)(O)NCCCO MCULE-8740563073 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.92 CC(C)[C@@H](N)COP(=O)(O)O MCULE-2815465075 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.92 CC(C)[C@@H](N)COP(=O)(O)O MCULE-9119338178 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.92 CC(C)[C@H](N)COP(=O)(O)O MCULE-3246126699 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,1,0,0,0,0|1,0,1]=3 38 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,1,0,0,0,0|1,0,1]=3 41 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,1,0,0,0,0|1,0,1]=3 44 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,1,0,0,0,0|0,0,3]=4 46 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,1,0,0,0,0|0,0,1]=2 47 B10R0.92 O=C(O)C(O)COP(=O)([O-])[O-] MCULE-4186908433 [0,1,0,0,0,0|0,0,3]=4 48 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [0,1,0,0,0,0|0,0,2]=3 49 B10R0.92 O=C([O-])C(O)COP(=O)([O-])O MCULE-6234171535 [0,1,0,0,0,0|0,0,3]=4 50 B10R0.92 O=C([O-])[C@H](O)COP(=O)([O-])O MCULE-3595347032 [0,1,0,0,0,0|0,0,3]=4 51 B10R0.92 O=C([O-])[C@H](O)COP(=O)([O-])O MCULE-8994292484 [0,1,0,0,0,0|0,0,3]=4 52 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,0,0,0,1,0|2,0,0]=3 53 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,0,0,0,1,0|2,0,0]=3 54 B8R0.24 O=C(CP(=O)(O)O)NO MCULE-2272923571 [0,0,0,0,1,0|1,0,2]=4 55 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,0,0,0,1,0|2,0,1]=4 56 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,0,0,0,1,0|1,0,1]=3 57 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,0,0,0,1,0|1,0,0]=2 58 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,0,0,0,1,0|1,0,0]=2 59 B7R0.3 CCOCC(O)CO MCULE-2728952355 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.3 OCCCC(O)CO MCULE-3529953491 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 O=N(=O)OCCCO MCULE-3030828224 [2,0,0,0,0,0|0,1,1]=4 65 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [2,0,0,0,0,0|1,0,1]=4 78 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [1,1,0,0,0,0|1,1,0]=4 81 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.38 CCCCCCP(=O)(O)O MCULE-9622755834 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.38 O=P(O)(O)CCOCCCl MCULE-4452895182 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O MCULE-4058698477 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.57 C[C@@H](N)C(=O)OP(=O)(O)O MCULE-5665170194 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.77 O=P(O)(O)CCP(=O)(O)O MCULE-4998633006 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.77 O=P(O)(O)OCC(Cl)(Cl)Cl MCULE-6558639100 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.52 O=P(O)(O)OC(CO)CO MCULE-1434916971 [0,1,0,0,1,0|0,0,0]=2 91 B9R0.52 O=P([O-])([O-])OC(CO)CO MCULE-3080779475 [0,1,0,0,1,0|0,0,2]=4 92 B9R0.52 O=P([O-])([O-])OC(CO)CO MCULE-9459425617 [0,1,0,0,1,0|0,0,2]=4 93 B11R0.365 NC(CO)(CO)COP(=O)(O)O MCULE-5518827204 [0,2,0,0,0,0|0,0,0]=2 94 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O MCULE-3979704333 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-3663360571 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-4499625523 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,2,0,0,0,0|1,0,1]=4 98 B9R1.69 OC1CC(C(CO1)O)O MCULE-3654762746 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-2084054051 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-9105480679 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.69 OC1C[C@H]([C@H](CO1)O)O MCULE-7375065985 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [1,0,0,1,0,0|2,0,0]=4 104 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,0,0,0,1,0|2,0,0]=4 105 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,0,0,0,1,0|2,0,0]=4 106 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,0,0,0,1,0|2,0,0]=4 107 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,0,0,0,1,0|2,0,0]=4 108 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,0,0,0,1,0|2,0,0]=4 109 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,0,0,0,1,0|2,0,0]=4 110 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,0,0,0,1,0|2,0,0]=4 111 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,0,0,0,1,0|2,0,0]=4 112 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,0,0,0,1,0|2,0,0]=4 113 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,0,0,0,1,0|2,0,0]=4 114 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,0,0,0,1,0|2,0,0]=4 115 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,0,0,0,1,0|2,0,0]=4 116 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,0,0,0,1,0|2,0,0]=4 117 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,0,0,0,1,0|2,0,0]=4 118 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,0,0,0,1,0|2,0,0]=4 119 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,0,0,0,1,0|2,0,0]=4 120 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,0,0,0,1,0|1,0,0]=3 121 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,0,0,0,1,0|1,0,0]=3 122 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,0,0,0,1,0|1,0,1]=4 123 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,0,0,0,1,0|1,0,1]=4 124 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,0,0,0,1,0|2,0,0]=4 125 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [1,0,0,0,1,0|0,0,2]=4 126 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [1,0,0,0,1,0|1,0,0]=3 127 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,0,0,0,1,0|0,0,2]=4 128 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,0,0,0,2,0|2,0,0]=4 129 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [1,0,0,0,0,1|2,0,0]=4