0 B13R0.593 CCC(CC)(CC)NCCS(=O)(=O)C 2230a_100000760206_100000731031 [0,0,0,0,0,0|4,0,0]=4 1 B13R0.593 CCC(CC)(CC)NCCS(=O)(=O)[O-] 2230a_100000760206_100000737633 [0,0,0,0,0,0|3,0,1]=4 2 B13R0.593 NS(=O)(=O)CSCC(CO)(CO)CO 62a_100000741382_100009813351 [0,0,0,0,0,0|3,0,0]=3 3 B13R0.593 NS(=O)(=O)CSCC(CO)(CO)CO 62a_100009813351_100000741382 [0,0,0,0,0,0|3,0,0]=3 4 B13R0.593 O=S(=O)([O-])CSCC(CO)(CO)CO 62a_100009813351_100009817235 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.593 O=S(=O)([O-])CSCC(CO)(CO)CO 62a_100009817235_100009813351 [0,0,0,0,0,0|2,0,1]=3 6 B14R0.840 CCC(CO)(CO)C(=O)CCS(=O)(=O)C 1458a_100000039496_100000731031 [0,1,0,0,0,0|3,0,0]=4 7 B14R0.840 CCC(CO)(CO)C(=O)CCS(=O)(=O)[O-] 1458a_100000039496_100000762736 [0,1,0,0,0,0|2,0,1]=4 8 B14R0.879 CCC(CO)(CO)NC(=O)CS(=O)(=O)C 240690a_100000211560_100000744497 [0,1,0,0,0,0|2,0,1]=4 9 B14R0.879 CCC(CO)(CO)NC(=O)CS(=O)(=O)C 527a_100000211560_100000744497 [0,1,0,0,0,0|2,0,1]=4 10 B14R0.879 CS(=O)(=O)CC(=O)CC(CO)(CO)CO 1458a_100000744497_100009813351 [0,1,0,0,0,0|2,0,1]=4 11 B14R0.879 CS(=O)(=O)CC(=O)NC(CO)(CO)CO 240690a_100000212283_100000744497 [0,1,0,0,0,0|1,0,1]=3 12 B14R0.879 CS(=O)(=O)CC(=O)NC(CO)(CO)CO 527a_100000212283_100000744497 [0,1,0,0,0,0|1,0,1]=3 13 B14R0.882 CS(=O)(=O)CCNC(CO)(CO)[N+](=O)[O-] 34a_100000740961_100009813326 [0,1,0,0,0,0|2,0,1]=4 14 B14R0.882 NS(=O)(=O)CCNC(CO)(CO)[N+](=O)[O-] 34a_100000738205_100009813326 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.9699 CS(=O)(=O)CCNC1(CCCC1)CO 2230a_100000749328_100000731031 [0,0,0,1,0,0|3,0,0]=4 16 B14R1.9699 CS(=O)(=O)CCNC1(CCCC1)CO 34a_100000749328_100000731031 [0,0,0,1,0,0|3,0,0]=4 17 B14R1.9699 O=S(=O)([O-])CCNC1(CCCC1)CO 2230a_100000749328_100000737633 [0,0,0,1,0,0|2,0,1]=4 18 B14R1.9699 O=S(=O)([O-])CCNC1(CCCC1)CO 34a_100000749328_100000762736 [0,0,0,1,0,0|2,0,1]=4 19 B14R0.876 CS(=O)(=O)CCNCC(CO)(CO)CO 34a_100000740961_100009813351 [0,0,0,0,0,1|1,0,0]=2 20 B14R0.876 CS(=O)(=O)CCOCC(CO)(CO)CO 34a_100000211924_100009813351 [0,0,0,0,0,1|2,0,0]=3 21 B14R0.876 CS(=O)(=O)CCOCC(CO)(CO)CO 7a_100000211924_100009813351 [0,0,0,0,0,1|2,0,0]=3 22 B14R0.876 CS(=O)(=O)CCSCC(CO)(CO)CO 62a_100000731031_100009813351 [0,0,0,0,0,1|2,0,0]=3 23 B14R0.876 CS(=O)(=O)CCSCC(CO)(CO)CO 62a_100009813351_100000230027 [0,0,0,0,0,1|2,0,0]=3 24 B14R0.876 NS(=O)(=O)CCOCC(CO)(CO)CO 34a_100012334274_100009813351 [0,0,0,0,0,1|2,0,0]=3 25 B14R0.876 O=S(=O)([O-])CCSCC(CO)(CO)CO 62a_100000762736_100009813351 [0,0,0,0,0,1|1,0,1]=3 26 B14R0.876 O=S(=O)([O-])CCSCC(CO)(CO)CO 62a_100009813351_100000762736 [0,0,0,0,0,1|1,0,1]=3 27 B11R0.24 CC[C@@H](CO)NCCS(=O)(=O)C 2230a_100000709445_100000731031 [2,0,0,0,0,0|2,0,0]=4 28 B11R0.24 CC[C@@H](CO)NCCS(=O)(=O)[O-] 2230a_100000709445_100000737633 [2,0,0,0,0,0|1,0,1]=4 29 B11R0.24 CS(=O)(=O)CCNC(CO)CO 2230a_100000759517_100000731031 [2,0,0,0,0,0|1,0,0]=3 30 B11R0.24 O=S(=O)([O-])CCNC(CO)CO 2230a_100000759517_100000737633 [2,0,0,0,0,0|0,0,1]=3 31 B11R0.131 CC(C)(CO)NCCS(=O)(=O)C 2230a_100000210608_100000731031 [2,0,0,0,0,0|1,0,0]=3 32 B11R0.131 CC(C)(CO)NCCS(=O)(=O)[O-] 2230a_100000210608_100000737633 [2,0,0,0,0,0|0,0,1]=3 33 B11R0.131 CCC(C)(C)NCCS(=O)(=O)C 2230a_100000211385_100000731031 [2,0,0,0,0,0|2,0,0]=4 34 B11R0.131 CCC(C)(C)NCCS(=O)(=O)[O-] 2230a_100000211385_100000737633 [2,0,0,0,0,0|1,0,1]=4 35 B13R0.1624 CC(CO)(CO)NC(=O)CS(=O)(=O)C 240690a_100000764395_100000744497 [1,1,0,0,0,0|1,0,1]=4 36 B13R0.1624 CC(CO)(CO)NC(=O)CS(=O)(=O)C 527a_100000764395_100000744497 [1,1,0,0,0,0|1,0,1]=4 37 B13R0.1962 CC(CO)(CO)C(=O)CCS(=O)(=O)C 1458a_100000693232_100000731031 [1,1,0,0,0,0|2,0,0]=4 38 B13R0.1962 CC(CO)(CO)C(=O)CCS(=O)(=O)[O-] 1458a_100000693232_100000762736 [1,1,0,0,0,0|1,0,1]=4 39 B15R0.3912 O=S(=O)([O-])C(O)CSCC(CO)(CO)CO 62a_100009813351_200000035551 [0,1,0,0,0,1|1,0,1]=4 40 B15R0.3912 O=S(=O)([O-])C(O)CSCC(CO)(CO)CO 62a_200000035551_100009813351 [0,1,0,0,0,1|1,0,1]=4 41 B15R0.3998 CCC(CO)(CO)NC(=O)CCS(=O)(=O)C 240690a_100000211560_100000737124 [0,1,0,0,0,1|2,0,0]=4 42 B15R0.3998 CCC(CO)(CO)NC(=O)CCS(=O)(=O)C 527a_100000211560_100000737124 [0,1,0,0,0,1|2,0,0]=4 43 B15R0.3998 CCC(CO)(CO)NC(=O)CCS(=O)(=O)N 240690a_100000211560_100000737202 [0,1,0,0,0,1|2,0,0]=4 44 B15R0.3998 CN(CCS(=O)(=O)C)CC(CO)(CO)CO 34a_100000750128_100009813351 [0,1,0,0,0,1|1,0,0]=3 45 B15R0.3998 CS(=O)(=O)CCC(=O)CC(CO)(CO)CO 1458a_100000737124_100009813351 [0,1,0,0,0,1|2,0,0]=4 46 B15R0.3998 CS(=O)(=O)CCC(=O)NC(CO)(CO)CO 240690a_100000212283_100000737124 [0,1,0,0,0,1|1,0,0]=3 47 B15R0.3998 CS(=O)(=O)CCC(=O)NC(CO)(CO)CO 527a_100000212283_100000737124 [0,1,0,0,0,1|1,0,0]=3 48 B15R0.3998 NS(=O)(=O)CCC(=O)CC(CO)(CO)CO 1458a_100000737202_100009813351 [0,1,0,0,0,1|2,0,0]=4 49 B15R0.5615 CCS(=O)(=O)CCNCC(CO)(CO)CO 34a_100000751051_100009813351 [0,1,0,0,0,1|1,0,0]=3 50 B15R0.5615 CCS(=O)(=O)CCOCC(CO)(CO)CO 34a_200011216379_100009813351 [0,1,0,0,0,1|2,0,0]=4 51 B15R0.5615 CCS(=O)(=O)CCOCC(CO)(CO)CO 7a_200011216379_100009813351 [0,1,0,0,0,1|2,0,0]=4 52 B15R0.5615 CCS(=O)(=O)CCSCC(CO)(CO)CO 62a_100000756660_100009813351 [0,1,0,0,0,1|2,0,0]=4 53 B15R0.5615 CCS(=O)(=O)CCSCC(CO)(CO)CO 62a_100009813351_100000756660 [0,1,0,0,0,1|2,0,0]=4 54 B15R0.8474 CCC(CO)(CO)C(=O)NCCS(=O)(=O)C 240690a_100000740961_100000039496 [0,1,0,0,0,1|2,0,0]=4 55 B15R0.8474 CCC(CO)(CO)C(=O)NCCS(=O)(=O)N 240690a_100000738205_100000039496 [0,1,0,0,0,1|2,0,0]=4 56 B15R0.11757 CCS(=O)(=O)CC(=O)NC(CO)(CO)CO 240690a_100000212283_100000744335 [0,2,0,0,0,0|1,0,1]=4 57 B15R0.11757 CCS(=O)(=O)CC(=O)NC(CO)(CO)CO 527a_100000212283_100000744335 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.3822 CC1(CCOC1)NCCS(=O)(=O)C 2230a_100000693475_100000731031 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.3822 CC1(CCOC1)NCCS(=O)(=O)[O-] 2230a_100000693475_100000737633 [1,0,0,1,0,0|1,0,1]=4 60 B13R1.5983 CS(=O)(=O)CCNC1(CCC1)CO 2230a_100016993734_100000731031 [1,0,0,1,0,0|2,0,0]=4 61 B13R1.5983 CS(=O)(=O)CCNC1(COC1)CO 2230a_100010290435_100000731031 [1,0,0,1,0,0|1,0,0]=3 62 B13R1.5983 O=S(=O)([O-])CCNC1(CCC1)CO 2230a_100016993734_100000737633 [1,0,0,1,0,0|1,0,1]=4 63 B13R1.5983 O=S(=O)([O-])CCNC1(COC1)CO 2230a_100010290435_100000737633 [1,0,0,1,0,0|0,0,1]=3 64 B15R1.35795 O=S1(=O)CC(C1)NCC(CO)(CO)CO 34a_100000695474_100009813351 [0,0,0,1,0,1|1,0,0]=3 65 B15R1.35795 O=S1(=O)CC(C1)OCC(CO)(CO)CO 34a_100000072295_100009813351 [0,0,0,1,0,1|2,0,0]=4 66 B15R1.35795 O=S1(=O)CC(C1)OCC(CO)(CO)CO 7a_100000072295_100009813351 [0,0,0,1,0,1|2,0,0]=4 67 B15R1.19031 CS(=O)(=O)CCNC1(CCOCC1)CO 2230a_100000751404_100000731031 [0,1,0,1,0,0|2,0,0]=4 68 B15R1.19031 CS(=O)(=O)CCNC1(CCOCC1)CO 34a_100000751404_100000731031 [0,1,0,1,0,0|2,0,0]=4 69 B15R1.19031 O=S(=O)([O-])CCNC1(CCOCC1)CO 2230a_100000751404_100000737633 [0,1,0,1,0,0|1,0,1]=4 70 B15R1.19031 O=S(=O)([O-])CCNC1(CCOCC1)CO 34a_100000751404_100000762736 [0,1,0,1,0,0|1,0,1]=4 71 B15R0.3949 CS(=O)(=O)CCCNCC(CO)(CO)CO 34a_100000742409_100009813351 [0,0,0,0,0,2|1,0,0]=3 72 B15R0.3949 CS(=O)(=O)CCCOCC(CO)(CO)CO 34a_100000689940_100009813351 [0,0,0,0,0,2|2,0,0]=4 73 B15R0.3949 CS(=O)(=O)CCCOCC(CO)(CO)CO 7a_100000689940_100009813351 [0,0,0,0,0,2|2,0,0]=4 74 B15R0.3949 CS(=O)(=O)CCCSCC(CO)(CO)CO 62a_100000754308_100009813351 [0,0,0,0,0,2|2,0,0]=4 75 B15R0.3949 CS(=O)(=O)CCCSCC(CO)(CO)CO 62a_100009813351_100000754308 [0,0,0,0,0,2|2,0,0]=4 76 B15R0.3949 CS(=O)(=O)NCCSCC(CO)(CO)CO 62a_100000754112_100009813351 [0,0,0,0,0,2|2,0,0]=4 77 B15R0.3949 CS(=O)(=O)NCCSCC(CO)(CO)CO 62a_100009813351_100000754112 [0,0,0,0,0,2|2,0,0]=4 78 B15R0.3949 CS(=O)(=O)OCCSCC(CO)(CO)CO 62a_100009813351_200000036756 [0,0,0,0,0,2|2,0,0]=4 79 B15R0.3949 CS(=O)(=O)OCCSCC(CO)(CO)CO 62a_200000036756_100009813351 [0,0,0,0,0,2|2,0,0]=4 80 B15R0.3949 NS(=O)(=O)CCCSCC(CO)(CO)CO 62a_100000750626_100009813351 [0,0,0,0,0,2|2,0,0]=4 81 B15R0.3949 NS(=O)(=O)CCCSCC(CO)(CO)CO 62a_100009813351_100000750626 [0,0,0,0,0,2|2,0,0]=4 82 B15R0.3949 O=S(=O)([O-])CCCSCC(CO)(CO)CO 62a_100009813351_100009813499 [0,0,0,0,0,2|1,0,1]=4 83 B15R0.3949 O=S(=O)([O-])CCCSCC(CO)(CO)CO 62a_100009813499_100009813351 [0,0,0,0,0,2|1,0,1]=4