id int64 | RHEA_ID int64 | DIRECTION string | MASTER_ID int64 | UniprotID string | SMILES string | EC number string | CANO_RXN_SMILES string | sequence string | Label int64 |
|---|---|---|---|---|---|---|---|---|---|
15,500 | 59,064 | UN | 59,064 | Q9FK25 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MGSTAETQLTPVQVTDDEAALFAMQLASASVLPMALKSALELDLLEIMAKNGSPMSPTEIASKLPTKNPEAPVMLDRILRLLTSYSVLTCSNRKLSGDGVERIYGLGPVCKYLTKNEDGVSIAALCLMNQDKVLMESWYHLKDAILDGGIPFNKAYGMSAFEYHGTDPRFNKVFNNGMSNHSTITMKKILETYKGFEGLTSLVDVGGGIGATLKMIVSKYPNLKGINFDLPHVIEDAPSHPGIEHVGGDMFVSVPKGDAIFMKWICHDWSDEHCVKFLKNCYESLPEDGKVILAECILPETPDSSLSTKQVVHVDCIMLA... | 0 |
15,501 | 77,179 | UN | 77,179 | Q9SVQ1 | [H][C@]1([C@@H](O)[C@@H]([NH3+])C(=O)[O-])O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=O>>[H][C@]1([C@@H](O)C(N)=O)O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=C=O.[H]O[H] | null | N[C@@H](C(=O)O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O.O=C=O | MEFVTETLGKRIHDPYVEETRCLMIPGPIIVGSGPSGLATAACLKSRDIPSLILERSTCIASLWQHKTYDRLRLHLPKDFCELPLMPFPSSYPTYPTKQQFVQYLESYAEHFDLKPVFNQTVEEAKFDRRCGLWRVRTTGGKKDETMEYVSRWLVVATGENAEEVMPEIDGIPDFGGPILHTSSYKSGEIFSEKKILVVGCGNSGMEVCLDLCNFNALPSLVVRDSVHVLPQEMLGISTFGISTSLLKWFPVHVVDRFLLRMSRLVLGDTDRLGLVRPKLGPLERKIKCGKTPVLDVGTLAKIRSGHIKVYPELKRVMHY... | 0 |
15,502 | 80,235 | UN | 80,235 | A0A0S2IHL2 | [H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)[C@@H](O)[C@H](O... | null | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc... | MDGVVVTYTKIAAAVAVAVVVVGWAWKVLNWVWVSPRKLEESLRKQGFRGNSYRLFYGDLKESSEMTRKAKLKPINLSDDPVLRVRPFIHQTVKKYGKSSFIWIGPTPRVQIMDPEIIKEIMVKSYKFNKPKRNPLVKLFADGLANHEGELWAKHRKLLNPAFHLERLKCMLPAMYFSCIEMVSKWDKMISKDGSRELDVWPFLQRLTSDVISHTAFGSSYEEGNIVFELQTEQAELVMKTLQSVYIPGWSYLPTKRNRKMKEIDRKTQSCLMNIINKKTKAMQAGEGSTDDILGILLESNLKEQLGQGKKNVGMSIQEV... | 0 |
15,503 | 79,179 | UN | 79,179 | Q0AVM5 | O=C([O-])C1CCCCC1.CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)[O-] | 2.3.1.315 | CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)O | MYQKLLEEYKSKLVTADEAAKQVKSGDWVEYGFGINCARDFDEALAKRKDELEDVKIRCDIGAYQHFTAEVDPDNKHFTWNSWHVAGHDRKFINKNLFYIPMKFHENPMMTRKDCVPTNVAVIQCTAMDKHGYFNFGGSSVNCCAMMETARVTILEVNEKMPRCLGGNQECLHISQVDYIIQSKNEPIATIGSAEPSPVEIAMAQHIIERLYDGNCIQLGIGGTPNAVGSMVAASDLKDLGVHTEMYVDAYLLMAKAGKITGARKSIDKYKQVYSFAMGSQELYDYIDDNPGLASYSVDYTNNPWVVAQIDDFVSINACI... | 0 |
15,504 | 69,611 | UN | 69,611 | B7MK99 | OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | 3.2.1.216 | O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O | MKSPAPSRPQKMALIPACIFLCFAALSVQAEETSVTPQPPDILLGPLFNDVQNAKLFPDQKTFADAVPNSDPLMILADYRMQQNQSGFDLRHFVNVNFTLPKEGEKYVPPEGQSLREHIDGLWPVLTRSTENTEKWDSLLPLPKPYVVPGGRFREVYYWDSYFTMLGLAESGHWDKVADMVANFAHEIDNYGHIPNGNRSYYLSRSQPPFFALMVELLAQHEGDAALKQYLPQMQKEYAYWMDGVENLQAGQQEKRVVKLQDGTLLNRYWDDRDTPRPESWVEDIATAKSNPNRPATEIYRDLRSAAASGWDFSSRWMDN... | 0 |
15,505 | 78,975 | UN | 78,975 | Q29081 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MAPLGSVPRLVLLFSGKRKSGKDFVTEALQSRLGADVCAILRLSGPLKEQYAQEHGLDFQRLLDASTYKESYRKDMIRWGQEKRQADPGFFCRKIVEGVSQPIWLVSDTRRLSDIQWFQETYGAVTQTVRVVATEQSRQQRGWVFIPGVDDAESECGLDDFGAFDWVIENHGDEQHLEEQLGHLIEFVHSRL | 0 |
15,506 | 12,000 | UN | 12,000 | Q67U69 | [H]C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C=O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 1.17.1.10 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CO>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C=O | MAMWRAPSAAGQLLGRALASTAAQTSAGSKKVVGVFYKGGEYADKNPNFVGCVDSALGIRGWLESKGHRYIVTDDKEGINCELEKHIEDAHVLITTPFHPAYITAERIKKAKNLELLLTAGVGSDHIDLPAAAAAGLTVAEITGSNTVSVAEDQLMRILLLLRNFLPGHHQIVNGEWNVAGIAHRTYDLEGKTVGTVGAGRIGRLLLQRLKPFNCNLMYHDRVKIDPELEKEIGAKYEEDLDAMLPKCDVVVINMPLTEKTRGMFNKERIAKMKKGVTIVNNARGAIMDTQAVADACASGHVAGYGGDVWFPQPAPKDHP... | 0 |
15,507 | 81,487 | UN | 81,487 | G3XD23 | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O.[H+]>>CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O | 4.1.1.128 | CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O | MKNFALIGAAGYIAPRHMRAIKDTGNCLVSAYDINDSVGIIDSISPQSEFFTEFEFFLDHASNLKRDSATALDYVSICSPNYLHYPHIAAGLRLGCDVICEKPLVPTPEMLDQLAVIERETDKRLYNILQLRHHQAIIALKDKVAREKSPHKYEVDLTYITSRGNWYLKSWKGDPRKSFGVATNIGVHFYDMLHFIFGKLQRNVVHFTSEYKAAGYLEYEQARVRWFLSVDANDLPESVKGKKPTYRSITVNGEEMEFSEGFTDLHTTSYEEILAGRGYGIDDARHCVETVNTIRSAVIVPASDNEGHPFVAALAR | 0 |
15,508 | 78,491 | UN | 78,491 | Q0ZQ42 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MTHYATVICGGGPAGVSAVVAAAVQGRLEEFLDRGVLLVEATGRAGSGSIPHYGIRANSLGSAFLECLDGPAGSGLLAGLADSAEARELRGWADEYPPLPVVGAFLTLVGERVVDALRRHPRCDALLGHRVVEVRTGPERATVLLSGPDGELSHTGDRVLLTMGGRERTELAPDALAALVERRPGLRVLSSGEVITDPSWHPDAASPHRALGSIAVLGGAHSAWAVAAHLARLARAGWFAGPVEVTVVERRLPPIFYFSAAEARAEGYRWDEADVCGPSGRVHRFGGLRGPARELARQVMGLAAEKAPDGFGQVVLDGPW... | 1 |
15,509 | 56,376 | UN | 56,376 | V4HM83 | O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O | MNKTIAVIGAGLSGIAAVKQLTDGGHQVTCFEKAESFGGVFADKKIYDDLHLTISNYFMAYSDYVPNHQKLKFWSKKEYINYLGEYIERFDIAKHIHYDHEVCCVQKQGDKWLVTYKNADTEQTKEFDMVAVCSGHFQKPKLPDLPGLDMYQGNIEHSNDYRDKHNYAGKRVLCVGLGESSADITSEISQVARKCILSLRRYPAVAPRYMAFQEDPYFTIDTSWLTSRIVNKLPHRYHGGITKGIFNKYVTSRNDHVRIRGEWLKKSGPSHHQAVTKNERLFRPIADGKVTPNIGGIERFEKNAVVFKDGTREEIDAVVF... | 1 |
15,510 | 78,523 | UN | 78,523 | Q99PW5 | [H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O | null | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O | MEEVSSCSLRSTLFQQEEQNRITYRIPALLYIPPTHTFLAFAEMRTSSRDEDAVYLVFRRGVMKGCSVEWGPQQPLMEATLPGHRTMSPCPVWEKNTGRVYLFFICVQGHVSERWQLLWGRNAARLCFLYSEDSGCSWGEVKDLTEEVVGSEMKHWATFAVGPGHGIQLQSGRLLIPAYAYLISCWFLCFPCSVKPHSLMFYSDDLGVTWHCGKFIKPQVTGECQVAEVPGKAGNLVLYCSARTPNKFRAEAFSTDSGDCFQKPTLNQQLCEPRGGCQGSVVSTRPLKMPYTCQDSSGKDVPSTQKCPLMDRSLEVEEGA... | 0 |
15,511 | 77,179 | UN | 77,179 | A0A4D6IA61 | [H][C@]1([C@@H](O)[C@@H]([NH3+])C(=O)[O-])O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=O>>[H][C@]1([C@@H](O)C(N)=O)O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=C=O.[H]O[H] | null | N[C@@H](C(=O)O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O.O=C=O | MTVSKYNGVASTFNGVARRFDFAPLEADKLNWYPRSALPPEIPAIDLNKVNTEEELAQFLVDIRKSGLFYIVDHGIPEEISIGCYNAFREFCNLPEEAREKYNTDESFKSGGYVPFKGTSIGGGNLFERQKDFVVKFFWRGPSVVNRSPNDRFAEFHDEHHRKTAELAEKIITTILKALKTRFPEFHPDELKDNINVRNMFFSNRIYPEAPPDDGEKADYRLVPHRDLSFITLANQVPANNGFKGLFILTGDGEKIPVPPIRNSYLVFIGQGLSYLTNKYLPAALHGVDFPDNTNFEGSERASLISFYEPNDYMMPSKNI... | 0 |
15,512 | 80,323 | UN | 80,323 | Q9CBC9 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](O)[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@... | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]... | MVLNWRFALSADEQRLVREIISAATEFDEVSPVGEQVLRELGYDRTEHLLVTDSRPYAPIIGYLNLSSPRDAGVAMAELVVHPRERRRGVGAAMVRAALAKTGGRNRFWAHGTLASARATASVLGLVPVRELVQMQRSLRTIPDPMVPDQLGVWVRTYVGTVDDAELLRVNNAAFAGHPEQGGWTATQLAERRSEPWFDPAGLFLAFGDSSSNQPGKLLGFHWTKVHAAHPGLGEVYVLGVDPSAQGRGLGQMLTSIGIASLAQRLVGPSAEPTVMLYVESDNVAAARTYERLGFTTYSVDTAYALARIDD | 0 |
15,514 | 65,780 | UN | 65,780 | O15528 | COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(OC)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | COc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(OC)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTQTLKYASRVFHRVRWAPELGASLGYREYHSARRSLADIPGPSTPSFLAELFCKGGLSRLHELQVQGAAHFGPVWLASFGTVRTVYVAAPALVEELLRQEGPRPERCSFSPWTEHRRCRQRACGLLTAEGEEWQRLRSLLAPLLLRPQAAARYAGTLNNVVCDLVRRLRRQRGRGTGPPALVRDVAGEFYKFGLEGIAAVLLGSRLGCLEAQVPPDTETFIRAVGSVFVSTLLTMAMPHWLRHLVPGPWGRLCRDWDQMFAFAQRHVERREAEAAMRNGGQPEKDLESGAHLTHFLFREELPAQSILGNVTELLLAGVD... | 0 |
15,515 | 78,807 | UN | 78,807 | P58890 | NC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-].[H+]>>NC(=[NH2+])NCCCC[NH2+]CCC[NH3+].O=C=O | 4.1.1.127 | N=C(N)NCCCCNCC[C@H](N)C(=O)O>>N=C(N)NCCCCNCCCN.O=C=O | MIPRKAFLTKGTGVHKDRLASFELALRDAKIEKYNLVSVSSILPPNCKLVPREEGLAELKPGAIVHCVLARNDTNEPHRLMASAIGTAVPVNEENYGYISEHHSFGEEEIIAGEYAEDLAATMLATTLGIEFDAEMAWHEREQVYKASGHIFDTFHMCQTAKGDKDGKWTTTVAAMVFVTSKC | 0 |
15,516 | 80,291 | UN | 80,291 | A0A1I9Q5Z0 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)[C@](C)(CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]13O[C@@H]3C[C@@]1([H])C(C)(C)[C@@H](O)CC... | null | CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(O)O1.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]5CC[C@@]23C)C(O)O1.Cc1cc2nc3c(=O)[nH... | MDSLFIIISLVIVILTTIFILSNLLSKKTILLPGKTGLPLIGESIDYFNKLRTGINEKFVMERKLKYASDVFKTSILGENMAFLTGPEGNKFLFSNENKLVQVWWPSSVDSIIKKSHNKSAQAESAKVRVLLPPFLRAHAIKHYVSTMDSELRQHVADFWVGRDEVEVCPLVRKYTFALAVRLFLSVRDPGELEALARPFEEAAGGIIAIPINFPGTRFNRGIKASQRIRKVIGGIIEQRRKDLSEGKATPSQDLLSHMIVEVDRRNAENPDIAPATDSDISSDILGLLIGGYDTINTTIVFVMMTLVEYPDVYDQVLKE... | 0 |
15,517 | 15,681 | UN | 15,681 | Q7VS76 | [H]C(=O)/C(=C\C=C(/O)C(=O)[O-])CC(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>O=C([O-])C/C(=C\C=C(/O)C(=O)[O-])C(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C... | 1.2.1.60 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C/C(=C\C=C(/O)C(=O)O)CC(=O)O>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C/C(=C\C=C(/O)C(=O)O)C(=O)O | MNTPLRVGIVGCGVLANAMAGHLARQPRPVEIVGCLVRDPGRARGALPCHGSWEALLAQRPDVVVECAGQAALAQYAQAILAAGVDLVPASVGALADDALRGALLEAAAAAGARIRIPSGAMVGIDGLAAARHVGVAEVLYRGTMPPVALQRYVSGPLPERGLAFAGSAREAVARFPKNVNLTGTIALAGIGFDRTRVEMLIDPDATANVHELLARGEFGDFHARVSGLRISESSPSSRIVAGSLAQAALGSGFLALS | 0 |
15,518 | 78,491 | UN | 78,491 | P9WKF6 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MNPTLAVLGAGAKAVAVAAKASVLRDMGVDVPDVIAVERIGVGANWQASGGWTDGAHRLGTSPEKDVGFPYRSALVPRRNAELDERMTRYSWQSYLIATASFAEWIDRGRPAPTHRRWSQYLAWVADHIGLKVIHGEVERLAVTGDRWALCTHETTVQADALMITGPGQAEKSLLPGNPRVLSIAQFWDRAAGHDRINAERVAVIGGGETAASMLNELFRHRVSTITVISPQVTLFTRGEGFFENSLFSDPTDWAALTFDERRDALARTDRGVFSATVQEALLADDRIHHLRGRVAHAVGRQGQIRLTLSTNRGSENFET... | 0 |
15,519 | 80,259 | UN | 80,259 | F2YTN4 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN... | null | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]... | MALSMDNIVISNEEEICMMKAMHLPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSLLTCNITKNDDGNVHTTYNLTPLSQSLISDKDGTSIAPFLLLATDPVGVHACFHLKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNKAMQNLTCIEMKRIVECYNGFQGVKEIIDVGGGLGISLASIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMWDSIPQGELIILKAVLHSLDDEDCVKILKNCWRALPNDGKVVVIEQIQPKYPETNLLSKRSFSFDISMMI... | 0 |
15,520 | 76,679 | UN | 76,679 | A7BJC4 | [H]C(=O)CS(=O)(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[... | null | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CCS(=O)(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O... | MAEIRKLKNYINGEWVESKTDQYEDVVNPATKEVLCQVPISTKEDIDYAAQTAAEAFETWSKVAVPRRARILFNFQQLLSQHKEELAHLITIENGKNTKEALGEVGRGIENVEFAAGAPSLMMGDSLASIATDVEAANYRYPIGVVGGIAPFNFPMMVPCWMFPMAIALGNTFILKPSERTPLLTEKLVELFEKAGLPKGVFNVVYGAHDVVNGILEHPEIKAISFVGSKPVGEYVYKKGSEHLKRVQSLTGAKNHTIVLNDANLEDTVTNIVGAAFGSAGERCMACAVVTVEEGIADEFMAKLQEKVADIKIGNGLDDG... | 0 |
15,521 | 80,959 | UN | 80,959 | P9WQ47 | CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O>>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O.CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)O | MVSLSIPSMLRQCVNLHPDGTAFTYIDYERDSEGISESLTWSQVYRRTLNVAAEVRRHAAIGDRAVILAPQGLDYIVAFLGALQAGLIAVPLSAPLGGASDERVDAVVRDAKPNVVLTTSAIMGDVVPRVTPPPGIASPPTVAVDQLDLDSPIRSNIVDDSLQTTAYLQYTSGSTRTPAGVMITYKNILANFQQMISAYFADTGAVPPLDLFIMSWLPFYHDMGLVLGVCAPIIVGCGAVLTSPVAFLQRPARWLQLMAREGQAFSAAPNFAFELTAAKAIDDDLAGLDLGRIKTILCGSERVHPATLKRFVDRFSRFNL... | 0 |
15,522 | 74,147 | UN | 74,147 | Q920L5 | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)[O-])C(=O)C1=CC=CC=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-]... | 2.3.1.310 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)C(=O)c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](... | MNMSVLTLQEYEFEKQFNENEAIQWMQENWKKSFLFSALYAAFIFGGRHLMNKRAKFELRKPLVLWSLTLAVFSIFGALRTGAYMLYILMTKGLKQSVCDQSFYNGPVSKFWAYAFVLSKAPELGDTIFIILRKQKLIFLHWYHHITVLLYSWYSYKDMVAGGGWFMTMNYGVHAVMYSYYALRAAGFRVSRKFAMFITLSQITQMLMGCVINYLVFNWMQHDNDQCYSHFQNIFWSSLMYLSYLVLFCHFFFEAYIGKVKKATKAE | 0 |
15,523 | 70,775 | UN | 70,775 | P70085 | O=S(=O)([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=S([O-])[O-].[H]O[H].[H+].[H+] | 1.14.14.181 | Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=S(=O)(O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(O)O | MAWFLCLSVLVVLVLALAALLWRVRTRDRPQEAPSLPYLPVLGSLLSLRSPHPPHVLFKELQQKYGQTYSLKMGSHQVIIVNHHAHAREVLLKRGRTFAGRPRTVTTDVLTRDGKDIAFGDYSATWRFHRKIVHGALCMFGEGSASLQRIICTEAQSLCSTLSEAAATGLALDLSPELTRAVTNVICSLCFNSSYSRGDPEFEAMLRYSQGIVDTVAKDSLVDIFPWLQIFPNKDLRLLKQCVAVRDQLLQKKFEEHKSDYSDHVQRDLLDALLRAKRSAENNNTAAEFSAEAVGLSDDHLLMTVGDIFGAGVETTTTVL... | 0 |
15,524 | 81,163 | UN | 81,163 | B8QHP1 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)/N=C1/C(... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H... | MLIKDIILTPMSLSAVAGLLPLLFVAFLVLHEPIWLLWYRYAARRHKCSMPRFIEKSFPLGIQRTMDMIKTAKSYTLLEVQYDRVFNKFKARTYLRQAPLQYQIFTIEPENIKTILATKFNDFGLGARFHTVGKVFGQGIFTLSGNGWKQSRSMLRPQFTKDQVCRIDQISSHAAELIKEMNRAMKVDQFIDVQHYFHKLTLDTATEFLFGESCESLNPENQSCIVARDGSEITAEQFVESYNFLLNYAFKRTLSSKVYWLFNSKEFRDHKKRAQSYIDYYVDKALYATSFAAENSIAEKDAAAESSGIYVFSLEMAKVT... | 0 |
15,525 | 80,347 | UN | 80,347 | P30437 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)CC=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](... | null | CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)CC=O)[C@]4(C)CC[C@@H]3[C@@]12C.CC(C... | MAWFLCMCVFSVVGLGLLLLQVKLRRSLETRGGPPSLPVFPLIGSLLSLRSNQAPHVLFQKLQQKYGHTYSLMMGPHTVILVNHHQHAKEVLLKKGKIFAGRPRTVTTDLLTRDGKDIAFADYGATWRFHRKTVHGALCMFGEGSASIEKIICREALSLCDTLRESGSASLDLSPELTRAVTNVVCSLCFSSSYCRGDPEFEAMLQFSQGIVDTVAKDSLVDIFPWLQVFPNADLRLLKQCVSIRDKLLQKKYEEHKSDYSDHEQRDLLDALLRAKRSAENNNTAEITMETVGLSEDHLLMTVGDIFGAGVETTSTVLKW... | 0 |
15,526 | 79,287 | UN | 79,287 | Q2FE74 | [NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1.O=P(O)(O)OP(=O)(O)O | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFAAAKIGYHRLFDIKPVNTRYGGRIIFVDDCIDLNHYISFLESTPKQVVYETV | 0 |
15,527 | 46,772 | UN | 46,772 | Q43593 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKLCFPPHKMPSFPDARIRSHRVFMASTIHSPSMEVGKVKKPFTPPREVHVQVTHSLAPEKREIFNSLNNWAQENILVLLKDVDKCWQPSDFLPDSASEGFDEQVMELRKRCKEIPDDYFIVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMKQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARLAKEHGDLKLAQICGIIAADEKRHETAYTKIVEKLFEIDPDGTVLALADMMRKKVSMPAHLMYDGQDDNLFENFSSVAQRLGVYT... | 0 |
15,528 | 13,961 | UN | 13,961 | A4WR96 | C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C... | 6.6.1.1 | C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)... | MKLTLWTYEGPPHVGAMRVATGMTGLHYVLHAPQGDTYADLLFTMIERRGKRPPVSYTTFQARDLGSDTAEVFQQACRDAYERFQPQAIMVGASCTAELIQDDTGGLADALSLPVPVVHLELPSYQRKENFGADESFLQICRKLAKPTERTAQVSCNILGPTALGFRHRDDVTEITQLLNAMGIAVNVVAPMGSSPADIARLGAAHFNVLLYPETAESAARWAEKTLKQPYTKVVPIGVGATRDFIAEVAKLAGVEPKADESRLRQPWWSASVDSTYLTGKRVFLFGDATHVIAAARIARDEVGFEVVGMGCYNREYARP... | 0 |
15,529 | 13,961 | UN | 13,961 | P06267 | C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C... | 6.6.1.1 | C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)... | MKIAVYGKGGIGKSTTSCNISIALARRGKKVLQIGCDPKHDSTFTLTGFLIPTIIDTLQSKDYHYEDVWPEDVIYKGYGRCDCVEAGGPPAGAGCGGYVVGETVKLLKELNAFYEYDIILFDVLGDVVCGGFAAPLNYADYCIIITDNGFDALFAANRIAASVREKARTHPLRLAGLVGNRTSKRDLIDKYVEACPMPVLEVLPLIEDIRVSRVKGKTLFEMVELQPSLKYVCDFYLNIADQILSKPEGIIPKEVPDRELFSLLSDFYLNPVNTVNEKNKPNLIDFMII | 0 |
15,530 | 79,175 | UN | 79,175 | P0C7I8 | O=C([O-])C1CCCCC1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C([O-])CCC(=O)[O-] | 2.3.1.315 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C(O)CCC(=O)O | MAWTRDQMAARAARELTDGAYVNLGIGLPTLVANHIPDGVDVWLQSENGLLGIGPFPGEDEVDADLINAGKQTVTARSGASYFGSHDSFAMIRGGHIDLAILGAMQVTDRGDLANWMVPGKMVKGMGGAMDLVAGVKRVVVLMEHVAKDGTHKILPQCDLPLTGVGVVDRIITDLAVFDVTDGGLVLVEAAEGVGLEELRAKTGVAFVVQTRG | 0 |
15,531 | 80,283 | UN | 80,283 | O75881 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H]4OC4(C)C)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>[H][C@]12CC[C@@]3(C)[C@]([H])([C@... | null | C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H... | MAGEVSAATGRFSLERLGLPGLALAAALLLLALCLLVRRTRRPGEPPLIKGWLPYLGVVLNLRKDPLRFMKTLQKQHGDTFTVLLGGKYITFILDPFQYQLVIKNHKQLSFRVFSNKLLEKAFSISQLQKNHDMNDELHLCYQFLQGKSLDILLESMMQNLKQVFEPQLLKTTSWDTAELYPFCSSIIFEITFTTIYGKVIVCDNNKFISELRDDFLKFDDKFAYLVSNIPIELLGNVKSIREKIIKCFSSEKLAKMQGWSEVFQSRQDVLEKYYVHEDLEIGAHHLGFLWASVANTIPTMFWAMYYLLRHPEAMAAVRD... | 0 |
15,532 | 80,651 | UN | 80,651 | E7FHH1 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.*C([H])=O.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[1*]C(=O)[O-].[H+].[H+].[H+] | null | *C=O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>[1*]C(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MYAYNGKLLDVDLTREKVKEVELSEDVLKKFYGGRGLGTYILWKELGEKWEKVDPLGEENLLLILTGPLTGYYPGMKTSIVSKSPESNGVVGSVLSSELGLELKAAGYDGIIIRGKAKSPVYLFIHNDTVEIRDATKYWGMGGIELYKTLLKEVHEEIRKKEKLKGVPKEPAMIYIGKGGENKVRFAAIMTKLMHAAGYGGYGAVMGSKNLKAVIAKGSGPLPEVYDKEKMKVLLREFWKELFSMTTFREWGTGAGGYSVGHDRSSEPIRNWQEEYHDNEEISVVNFENRTWIKKYWADYGCPVNCMKISYLRYGPYKGS... | 1 |
15,533 | 76,095 | UN | 76,095 | P10635 | CC1=C[C@H](O/C=C(C=O)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+].[H+] | null | CC1=C[C@H](O/C=C(C=O)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLL... | 0 |
15,534 | 79,431 | UN | 79,431 | A4IFJ5 | CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C | null | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C | MSFIDPYQHIIVEHHYSHKFTVVVLRATKVTKGTFGDMLDTPDPYVELFISSTPDSRKRTRHFNNDINPVWNETFEFILDPNQENILEITLMDANYVMDETLGTTTFPISSMKVGEKKQVPFIFNQVTEMILEMSLEVCSSPDLRFSMALCDQEKAFRQQRKENIKENMKKLLGPKNSEGLHSTRDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYIAGLSGSTWYMSTLYSHPDFPEKGPEEINKELMKNVSHNPLLLLTPQKIKRYVESLWRKKSSGQPVTFTDIFGMLIGETLIHNRMNTTLSSLKEKVN... | 0 |
15,535 | 74,843 | UN | 74,843 | Q9D939 | [1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=... | null | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O... | MALTPELSRQTKLKEVAGIPLQAPTVDNWRQIQTFEAKPDDLLICTYPKSGTTWIQEIVDMIEQNGDVEKCRRTIIQHRHPFIEWARPPQPSGVDKANEMPAPRILRTHLPTQLLPPSFWTNNCKFLYVARNAKDCMVSYYHFYRMSQVLPEPGTWDEYFETFINGKVSWGSWFDHVKGWWEIRDKYQILFLFYEDMKRNPKHEIQKVMQFMGKNLDEDVVDKIVLETSFEKMKENPMTNRSTAPKSILDQSISPFMRKGTVGDWKNHFTVAQNERFDEIYKQKMGRTSLNFSMEL | 0 |
15,536 | 69,651 | UN | 69,651 | Q2KJG4 | CC(C)(OO)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(OO)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(O)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | MAGNSILLAALSVLSACQQSYFAMQVGKARSKYKVTPPSVSGSPDFERIFRAQQNCVEFYPIFIITLWMAGWYFNQVFATCLGLVYIYSRHQYFWGYAEAAKKRVTGFRLSLGVLALLTVLGAVGILNSFLDEYLDIDIAKKLRHF | 0 |
15,537 | 70,779 | UN | 70,779 | Q8CFX1 | OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(... | 1.1.1.432 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H]1OC(O)[C@H](O)[C@... | MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRE... | 0 |
15,538 | 79,651 | UN | 79,651 | P33752 | O=C([O-])CCC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)CC(=O)[O-].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-] | 2.3.1.318 | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)CCC(=O)CC(=O)O>>CC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O | MNSKIIRFENLRSFFKDGMTIMIGGFLNCGTPTKLIDFLVNLNIKNLTIISNDTCYPNTGIGKLISNNQVKKLIASYIGSNPDTGKKLFNNELEVELSPQGTLVERIRAGGSGLGGVLTKTGLGTLIEKGKKKISINGTEYLLELPLTADVALIKGSIVDEAGNTFYKGTTKNFNPYMAMAAKTVIVEAENLVSCEKLEKEKAMTPGVLINYIVKEPA | 0 |
15,539 | 51,008 | UN | 51,008 | A0A3F2YLY8 | [Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+] | 1.1.2.7 | CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2] | MKKPVKSWLIASTVAALLAVPAVSQANSEVEKLTKNPANWATWGGNYHGTRYSELKQINTSNVKNLQPAWTFSTGVLRGHEGGPLVVNDVMYIHTPFPNTVYAIDQKTQAVIWEYTPQQDADVTIPVMCCDTVNRGLAYGDGKIFLQQSDTVLTALDAKTGKRVWSVQNGDPKLGMTNTQAPLVVKDKVITGISGGEFGVRGFLAAYNIRTGELDWKGYSMGPDADTLINPTKTTTWKDGKVQPVGKDSSTSTWEGDQWKIGGGTTWGWYSYDPELNLVYYGSGNPSTWNPAQRPGDNKWSMSLWARNADTGEVKWVYQM... | 1 |
15,540 | 79,055 | UN | 79,055 | Q3AUU5 | CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*.*.*>>C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3)N2)NC1=O.[H]*[H].[H]*[H].[H]*[H].[H]*[H] | null | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O | MFDPFLDQLHADITARGGTPAEVPDGLAECHSAKGASVIRSWLWQVPGFRRWRVTRLDAGESLQVLNSVAYPDYGFDHPLMGVDLLWFGARQKLVAVLDFQPLVQNEAYFDRYFDGLKALNRQFPDLNGEETMRSFDPNQYFSSWLLFCRGGAEQAQTSLPPAFSAFLKAYWALHDAAKNNPATIAADEVKRLQENYDVYSAERDPAHGLFTSHFGKNWSDQFLHEFLFPASGQS | 0 |
15,541 | 79,655 | UN | 79,655 | P13703 | CC(=O)CC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(=O)CC(=O)[O-] | 2.3.1.319 | CC(=O)CC(=O)CC(=O)O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)CC(=O)O.CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | MQAVKVFEVGPRDGLQNERQPLSVAARVGLIGELAGTGLRHIEAGAFVSPRWVPQMAGSDEVLRQLPSNDGVSYTALVPNRQGFEAAQRAGCREVAVFAAASEAFSRNNINCSIDESFERFTPVLRAANEASIRVRGYVSCVLGCPFSGAVAPEAVAKVARRLYELGCYEISLGDTIGAGRPDETAQLFELCARQLPVAALAGHFHDTWGMAIANVHAALAQGVRTFDSSVAGLGGCPYSPGASGNVATEDLLYLLHGLGYSTGVDLEAVAQVGVRISAQLGTANRSRAGLALAARSAREH | 0 |
15,542 | 78,419 | UN | 78,419 | A7B1V0 | O=C([O-])NC1=NC2=CC=CC=C2N1.[H+]>>NC1=NC2=CC=CC=C2N1.O=C=O | null | O=C(O)Nc1nc2ccccc2[nH]1>>Nc1nc2ccccc2[nH]1.O=C=O | MSQVIKKKRNTFMIGTEYILNSTQLEEAIKSFVHDFCAEKHEIHDQPVVVEAKEHQEDKIKQIKIPEKGRPVNEVVSEMMNEVYRYRGDANHPRFFSFVPGPASSVSWLGDIMTSAYNIHAGGSKLAPMVNCIEQEVLKWLAKQVGFTENPGGVFVSGGSMANITALTAARDNKLTDINLHLGTAYISDQTHSSVAKGLRIIGITDSRIRRIPTNSHFQMDTTKLEEAIETDKKSGYIPFVVIGTAGTTNTGSIDPLTEISALCKKHDMWFHIDGAYGASVLLSPKYKSLLTGTGLADSISWDAHKWLFQTYGCAMVLVK... | 0 |
15,543 | 81,491 | UN | 81,491 | Q57160 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)... | 4.1.1.129 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N/C=C\... | MKPEDFRASTQRPFTGEEYLKSLQDGREIYIYGERVKDVTTHPAFRNAAASVAQLYDALHKPEMQDSLCWNTDTGSGGYTHKFFRVAKSADDLRHERDAIAEWSRLSYGWMGRTPDYKAAFGCALGGTPGFYGQFEQNARNWYTRIQETGLYFNHAIVNPPIDRHLPTDKVKDVYIKLEKETDAGIIVSGAKVVATNSALTHYNMIGFGSAQVMGENPDFALMFVAPMDADGVKLISRASYEMVAGATGSPYDYPLSSRFDENDAILVMDNVLIPWENVLLYRDFDRCRRWTMEGGFARMYPLQACVRLAVKLDFITALL... | 0 |
15,544 | 56,376 | UN | 56,376 | D8L2V9 | O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O | MTHISNNRPRIAVIGGGIAGLTVAASLLRAGIECTVYEQATVFADAGAGIQIAPNSARILHRLGLAGALERRATRAHAIETRRWQDGAPLARTELGEPCVERYGAPYYLIQRADLHRSLLELLPPGVVRHSAACTAVEERPDGVTLRFADGTSEEAGVVVGADGIHSALRNHLVGDRPRFSGHTVHRGLVAADRLPSLFEVPKVLFWLGPNGHVTSYPIAQHGLVHFSAVITSPEWDPEVWSAPSRPGEAAAAFAGWNAEVAELIGAAEQAHHWALFDRDCVGGWSTGRMTLAGDAAHPMVPYLSQGANQAIEDAWVLAD... | 0 |
15,545 | 12,000 | UN | 12,000 | Q6ETL8 | [H]C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C=O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 1.17.1.10 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CO>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C=O | MAAPPLSSWPWASLGSYKYVLYGAVVWKVAEEWRQQGAAPVGSWWLHLLLLFAARGLTYQFWFSYGNMLFFTRRRRVVPDSVDFRQVDAEWDWDNFLLLQTLIGATLVGSPAVARQQLLLPSLKQAWDPRGWAIALLLHVLVAEPLFYWAHRALHRAPLFSRYHAAHHHASVTTPLTAGFGTPLESLLLTVVIGVPLAGAFLMGVGSVGLVYGHVLLFDFLRSMGYSNVEVISPRVFQAVPLLRYLIYTPTYLSLHHREKDSNFCLFMPIFDLLGGTLNHKSWELQKEVYLGKNDQAPDFVFLAHVVDIMASMHVPFVLR... | 0 |
15,546 | 78,975 | UN | 78,975 | Q97UL6 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MIKVSAPGKILWIGSYSVVFGGISHVIAVNKRVSCSLREIKEKDSLIFHTSYGHFKNSGNELINSVLDTFRERLSQLPQGYEIDLYNDKEFIIDGKKTGLGSSSAATVSLTACLYYAIHGKLDLFEIHKLAQIANYKRQKGIGSGFDIASAVFGSIVYKRFTDLDKMDFYFEKLNLGNYDMMLGFTGKSSETVGLVRKFVEKSNLDDFKEIMRLIDEENYMAIKLIKLNKLDEAVEHIKLGRKYLNYIAERIVGVKLVSKMEEELIKIAEEEGALVALSPGAGGGDSIFALGNDLNRVREAWSKRGIFIIDVKEDEGLRL... | 0 |
15,547 | 81,319 | UN | 81,319 | Q32DA4 | *[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@@H]3OP(=O)([O-])O[C@@H]32)[C@H]1O.[H]O[H]>>[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O.NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@H]3OP(=O)([O-])O[C@H]32)C(=O)N1.[H+] | null | *[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]3OP(=O)(O)O[C@@H]32)[C@H]1O.O>>Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c(=O)[nH]1.[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O | MTQQITLIKDKILSDNYFTLHNITYDLTRKDGEVIRHKREVYDRGNGATILLYNAKKKTVVLIRQFRVATWVNGNESGQLIETCAGLLDNDEPEVCIRKEAIEETGYEVGEVRKLFELYMSPGGVTELIHFFIAEYSDNQRANAGGGVEDEDIEVLELPFSQALEMIKTGEIRDGKTVLLLNYLQMSHLID | 0 |
15,548 | 80,255 | UN | 80,255 | Q2GGE6 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MKKIVLAYSGGLDTSVILKWLQENYNCEVVVFTADLGQNDDMSAIRQKAAASNVKEIFIEDLKEEFVKDFVFPMFRANTVYEGYYLLGTSIARPLIAKRQIEIAHLTGADAVAHGATGKGNDQIRFEFGYYSCDPNIKVIAPWRQWELTSRNSLIEYAKKHGIDVPLDKASEPPYSIDANLLHTSYEGKSLEDPYIEPDYTMLSKSVIPELASDTPEYIEISFKNGDPHAINNVPLSPANLLQQLNIIGGRHGIGIIDIVENRYIGIKSRGVYETPGGTILLHAHRAIESITLDREAAHLKDEIMPRYAKLIYNGYWWTT... | 0 |
15,549 | 82,567 | UN | 82,567 | O77793 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | null | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFISSTPDSRKRTRHFNNNINPVWNETFEFILDPNQENVLEITLMDANYVMDETLGTATFTLSSMKVGEKKEVPFIFNQVTEMILEMSLEVCSCPDLRFSMALCDQEKTFRQQRKENIKENMKKLLGPKKSEGLYSTRDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYLAGLSGSSWYMSTLYSHPDFPEKGPEEINKELMKNVSYDPLLLLTPQKIKRYVESLWKKKSSGQPVTFTDIFGMLIGETLIHNRMNTTLSSLKEKVN... | 0 |
15,550 | 23,044 | UN | 23,044 | Q8K9F8 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MPSKNDLLSFRSEINNIDKNIVQLLAKRKKLVLNIAESKIKNNQPIRDIEREKILLEKLTNLGKKNNLNTNYITRLFQLIIEESVLTQKKLLNKFCNDNNLDLASFSFLGPKGSYSHIAASQYAEQNFKTCIENACLSFNEVIQSVENNQTDYAVLPIENSCSGFINEIFDILKKTNLFIIGEINISINHCLLAIKKIELNKIKAVYSHPQPFQQCSYFIKKFPNWKIQYTNSTADAMKKIVKYNITTNAALGSELGSKIYGLKVLYKNLANKKKNITRFILLSRKPVSISSKIPTKTTLIFNTGQESGALAEVLLILKK... | 0 |
15,551 | 81,367 | UN | 81,367 | Q9M0Y6 | [H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1CO.[H]O[H]>>[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1CO.O=P([O-])([O-])O | 3.1.3.112 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1CO.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]1CO.O=P(O)(O)O | MYILDTGARFSAVRFSPVFNPPPTSLRRRYFIVRANLPFPKHQAKYHKELEVAIDAVDRACRLCVDVKRSLFSSKEKIVEKNDQTPVTIADFGVQALVSLELSKLFPSIPLVAEEDSHFVRANNLVSSVVSEVKSKASIGDNHLSDADVLEAIDRGGKDAYTFCNKPATYWVLDPIDGTRGFLKGDEALYVVGLALVVDNEIVLGVMGCPNWPGDSSDGSTGTLMLSHIGCGTWTKKLQNVSGNVAGDWIRCFVDACVLMNKARFCIQESQTWESLPLSGFFDASTVSEDLKHKEILLLPTCCGSLCKYLMVASGRASVF... | 0 |
15,552 | 75,255 | UN | 75,255 | Q6NQ66 | [H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=O>>[H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)C(=O)[C@H]1O.[H]OO[H] | 1.1.3.50 | O=O.O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MAFTFPPSYRTLVGLYYIFTLMHTAVSTPPDDPVKCVSGNTNCTVTNSYGAFPDRSTCRAANVAYPKTEAELVSVVAAATQAGRKMRVTTRYSHSITKLVCTDGTEGLFISTKFLNHTVQADATAMTMTVESGMTLRQLIVEAAKVGLALPYAPYWWGLTVGGMMGTGAHGSSLWGKGSAVHDYVTEIRMVSPGSVNEGFAKIRILSETTTPNEFNAAKVSLGVLGVISQVTFELQPMFKRSLTYTMRNDSDFEDQAVTFGKKHEFADFIWLPSQGKVVYRRDDRVAVNTSGNGLFDFLPFRSQLSAAIAIIRTSEETQE... | 0 |
15,553 | 57,132 | UN | 57,132 | Q8BW75 | [NH3+]CCC1=CC=C(O)C=C1.[H][C@]1([C@@H](O)CO)OC(=O)C(O)=C1[O-].O=O>>[NH3+]C[C@H](O)C1=CC=C(O)C=C1.O=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H] | null | NCCc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=O>>NC[C@H](O)c1ccc(O)cc1.O.O=C1OC([C@@H](O)CO)C(=O)C1=O | MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGE... | 0 |
15,554 | 33,087 | UN | 33,087 | B5XZ23 | O=C([O-])C1=CC2=C(C=C1)[C@@]1(CCC2=O)OC(O)[C@H](O)[C@@H]1O>>O=C([O-])C1=CC2=C(C=C1)C(O)=CC=C2O.O=C(CO)CO | 4.1.99.29 | O=C(O)c1ccc2c(c1)C(=O)CC[C@@]21OC(O)[C@H](O)[C@@H]1O>>O=C(CO)CO.O=C(O)c1ccc2c(O)ccc(O)c2c1 | MELYLDTANVAEVERLARIYPLAGVTTNPSIIAAGKTPVWDVLPRLQKAIGPEGTLFAQTMSRDALGMVEEAKRLSNAVPGIVVKIPVTAEGLAAIKMLKKEGIPTLGTAVYSASQGLLAALAGAKYVAPYVNRVDAQGGDGIRMVQELQSLLEMHAPESKVLAASFKTPRQALDCLLAGCEAITLPLDVAQQMLGTPAVESAIEKFEQDWNNAFGTLNL | 0 |
15,555 | 49,440 | UN | 49,440 | B5R2K9 | CC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)C[C@@H](O)C(=O)[O-]>>CC(C)C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)CCC(=O)[O... | 2.8.3.24 | CC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC(C)C[C@@H](O)C(=O)O>>CC(C)CCC(=O)O.CC(C)C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | MSQQVIIFDTTLRDGEQALQASLSAKEKLQIALALERMGVDVMEVGFPVSSPGDFESVQTIARTIKNSRVCALARCVEKDIDVAAQALKVADAFRIHTFIATSPMHIATKLRSTLDEVIERAVYMVKRARNYTDDVEFSCEDAGRTPVDDLARVVEAAINAGARTINIPDTVGYTMPFEFAGIISGLYERVPNIDKAIISVHTHDDLGIAVGNSLAAVHAGARQVEGAMNGIGERAGNCALEEVIMAIKVRKDIMNVHTNINHHEIWRTSQTVSQICNMPIPANKAIVGSGAFAHSSGIHQDGVLKNRENYEIMTPESIG... | 0 |
15,556 | 80,331 | UN | 80,331 | P77791 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@... | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]3CC[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](OC... | MSTEKEKMIAGELYRSADETLSRDRLRARQLIHRYNHSLAEEHTLRQQILADLFGQVTEAYIEPTFRCDYGYNIFLGNNFFANFDCVMLDVCPIRIGDNCMLAPGVHIYTATHPIDPVARNSGAELGKPVTIGNNVWIGGRAVINPGVTIGDNVVVASGAVVTKDVPDNVVVGGNPARIIKKL | 0 |
15,557 | 80,255 | UN | 80,255 | A4FDS0 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MSKVLTSLPVGQRVGIAFSGGLDTSVAVAWMRENGAVPCTYTADIGQYDESDIASIPGRAEAYGAEISRLVDCREALVEEGLAALSCGAFHIRSGGRTYFNTTPLGRAVTATLLVRAMLADDVLIWGDGSTFKGNDIERFYRYGLLANPRLRIYKPWLDTAFVGELGGRKEMSEWLQERDLPYRDSAEKAYSTDANIWGATHEAKKLEHLDTGIEIVDPIMGVPFWDDSVEIATEDVTLSFVQGRPVAINGKEFDSPVDLVHEANAVGGRHGLGMSDQIENRIIEAKSRGIYEAPGMALLFIAYERLVNAIHNEDTIASY... | 0 |
15,558 | 79,219 | UN | 79,219 | Q9I1L4 | CSC1=NC(CCC(=O)[O-])=C(O)N1.[H]O[H]>>O=C([O-])CCC1NC(=O)NC1=O.CS | null | CSc1nc(CCC(=O)O)c(O)[nH]1.O>>CS.O=C(O)CCC1NC(=O)NC1=O | MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD | 0 |
15,559 | 76,243 | UN | 76,243 | Q9V2A7 | *NCC(=O)NCC(*)=O.[H]O[H]>>*C(=O)C[NH3+].*NCC(=O)[O-] | null | *NCC(=O)NCC(*)=O.O>>*C(=O)CN.*NCC(=O)O | MGKSKVSLVKKPEDFNIEEAIALVSSSSTGGIVIFLGKVRDENLGRKVEKLIYEAYDEMAIKEMERIRNEALDRFPIVDALIWHRIGELEVGENTILVVVSAKHRREAFEACAWIVDEVKKRVPVWKREVTDEGEFWIEGDRHVPVKR | 0 |
15,560 | 65,780 | UN | 65,780 | B6V6V5 | COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(OC)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | COc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(OC)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTVPQERIEIRNIDPGTNPTRFARGWHCIGLAKDFRDGKPHQVKVFGTDLVVFADTAGKLHVLDAFCRHMGGNLARGEIKGDTIACPFHDWRWNGQGRCEAVPYARRTPKLGRTKAWTTMERNGVLFVWHCPQGSEPTPELAIPEIEGYEDGQWSDWTWTTIHVEGSHCREIVDNVVDMAHFFYVHFQMPEYFKNVFDGHIAGQHMRSYGRDDIKTGVQMDLPEAQTISDAFYYGPSFMLDTIYTVSEGTTIESKLINCHYPVTNNSFVLQFGTIVKKIEGMSEEQAAEMATMFTDGLEEQFAQDIEIWKHKSRIENPLL... | 0 |
15,561 | 59,232 | UN | 59,232 | Q6WP50 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)CCC[C@](C)(C[C@]1(C)O)[C@@]4([H])[C@]23[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.202 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@]1(C)CCC[C@](C)(C[C@]2(C)O)[C@@H]31.O=P(O)(O)OP(=O)(O)O | MAIPALEPQLHDADTSSNNMSSNSTDSGYDTNSTTPLEKSEKPNTQELKQQQLDPKRPPFVRVPDLFGSIMSTKPVVNPNYFAAKARGDRWIARVMNFNKAVAARNSKVDLCFLASMWAPDAPEDRLVMMLDWNHWVFLFDDQFDEGHLKEDPAAAAEEVKQTIAIMGGNAPRYTAESNPIRYVFQQCWDRLKAVSSQEMQQRWIDQHKRYFDQLLVQVDQQVGGENFTRDVEAYMDLRRGTIGVYPAISLSEYGAGVNVPQHVYDHPSLQECMKVSADLVTLVNDVLSYRKDLELGVDHNLMSLLMQRDNLSAQQAVDV... | 0 |
15,562 | 69,340 | UN | 69,340 | P48644 | C/C=C/SO>>CC/C=[S+]\[O-] | 5.3.99.12 | C/C=C/SO>>CC/C=[S+]\[O-] | MSSSAMPDVPAPLTNLQFKYTKIFINNEWHSSVSGKKFPVFNPATEEKLCEVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLNKLADLIERDHLLLATMEAMNGGKLFSNAYLMDLGGCIKTLRYCAGWADKIQGRTIPMDGNFFTYTRSEPVGVCGQIIPWNFPLLMFLWKIGPALSCGNTVVVKPAEQTPLTALHMGSLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDVDKVAFTGSTEVGKLIKEAAGKSNLKRVSLELGGKSPCIVFADADLDNAVEFAHQGVFYHQGQCCIAASRLFVEESIYDEFV... | 0 |
15,563 | 79,263 | UN | 79,263 | P19732 | CC1=CC(=O)O/C2=C\C(OS(=O)(=O)[O-])=C/C=C\12.OC1=CC=CC=C1>>O=S(=O)([O-])OC1=CC=CC=C1.CC1=CC(=O)O/C2=C\C(O)=C/C=C\12 | null | Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12.Oc1ccccc1>>Cc1cc(=O)oc2cc(O)ccc12.O=S(=O)(O)Oc1ccccc1 | MATHNKKRLNLKDKYRYLTRDLAWETTYQKKEDVFPLEHFEGIKITDWDKWEDPFRLTMDTYWKYQAEKEKKLYAIFDAFAQNNGHQNISDARYVNALKLFLTAVSPLEYQAFQGFSRVGRQFSGAGARVACQMQAIDELRHVQTQVHAMSHYNKHFDGLHDFAHMYDRVWYLSVPKSYMDDARTAGPFEFLTAVSFSFEYVLTNLLFVPFMSGAAYNGDMATVTFGFSAQSDEARHMTLGLEVIKFMLEQHEDNVPIIQRWIDKWFWRGYRLLTLIGMMMDYMLPNKVMSWSEAWGVYFEQAGGALFKDLERYGIRPPK... | 0 |
15,564 | 82,563 | UN | 82,563 | Q6IV77 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MPLHVKWPFPAVPPLTWTLASSVVMGLVGTYSCFWTKYMNHLTVHNKEVLYELIENRGPATPLITVSNHQSCMDDPHLWGILKLRHIWNLKLMRWTPAAADICFTKELHSHFFSLGKCVPVCRGDGVYQKGMDFILEKLNHGDWVHIFPEGKVNMSSEFLRFKWGIGRLIAECHLNPIILPLWHVGMNDVLPNSPPYFPRFGQKITVLIGKPFSALPILERLRAENKSAVEMRKALTDFIQEEFQRLKTQAEQLHNHLQPGR | 0 |
15,565 | 80,087 | UN | 80,087 | Q46925 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[NH3+]CCS(=O)(=O)[O-].[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[S... | null | NCCS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4... | MNVFNPAQFRAQFPALQDAGVYLDSAATALKPEAVVEATQQFYSLSAGNVHRSQFAEAQRLTARYEAAREKVAQLLNAPDDKTIVWTRGTTESINMVAQCYARPRLQPGDEIIVSVAEHHANLVPWLMVAQQTGAKVVKLPLNAQRLPDVDLLPELITPRSRILALGQMSNVTGGCPDLARAITFAHSAGMVVMVDGAQGAVHFPADVQQLDIDFYAFSGHKLYGPTGIGVLYGKSELLEAMSPWLGGGKMVHEVSFDGFTTQSAPWKLEAGTPNVAGVIGLSAALEWLADYDINQAESWSRSLATLAEDALAKRPGFRS... | 0 |
15,566 | 75,763 | UN | 75,763 | D3ZKX9 | CCCCCC/C=C/C=C/CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)[O-] | null | CCCCCC/C=C/C=C/CCCCCCCC(=O)O.O>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)O | MAVYRLCVTTGSYLKAGTLDNIYATLVGTCGESPKQKLDRVGRDFATGSVQKYKVRCASELGEILLLRLHKERFAFFCKDPWYCSRICVTTPDGSVVHFPCYQWIDGYCTVELRPGTARTICQDALPLLLDHRKRELQARQECYRWKIYAPGFPRMVDVSSFEEMESDKKFALTKTAPCADQDDNSGNRYLPGFPMKVDIPSLLHMEPNIRYSATKTASLIFNALPASLGMKIRGLLDRKGSWKRLDDIRNIFWCHKTFTSEYVTEHWCEDSFFGYQYLNGVNPIMLHCLSSLPSKLPVTNDMVAPLLGPGTCLQTELER... | 0 |
15,567 | 76,387 | UN | 76,387 | Q0RFB2 | [NH3+][C@@H](CCCCNO)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+][C@@H](CCCCNN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+].[H+] | null | N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCCNO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCCCNN[C@@H](CCC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MTERVVLAYSGGLDTSVAIGWIGAETGAEVVALAVDVGQGGEDLEAIRQRALTCGAVESIVVDARTEFAESFVAPAIRSNALYMDRYPLISSLSRPIIVKHLVEAAREHGADAIAHGCTGKGNDQVRFEVGVSALAPGLKVLAPVRDSGMTRDKAIAFAEERGLPIDVSKRSPYSIDQNLWGRTAECGILEDPWAQPPEDVFVYSADPTVARTPDEVTISFTDGVPTGLDGRSLSLAELVAELNTRAGAHGVGRIDMIEDRLVGIKSREIYECPAAITLLTAHRDLEDLTLERDVARFKRGVDQRWGEIVYDGLWYSPLK... | 0 |
15,568 | 78,719 | UN | 78,719 | B5R904 | O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O.[H]O[H]>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | 3.2.1.218 | O.O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | MIPPEIRRSVLLQKAIKLALAGTLLTFASFSATAADPSSDTETPQPPDILLGPLFNDVQNAKLFPDQKTFADAIPNSDPLMILADYRMQRNQSGFDLRHFVDVNFTLPKAGEKYVPPAGQSLREHIDGLWPVLTRSTKNVEKWDSLLPLPESYVVPGGRFREIYYWDSYFTMLGLAESGHWDKVADMVANFGYEIDAWGHIPNGNRTYYLSRSQPPFFAFMVELLAQHEGDDALKEYLPQLQKEYAYWMEGVETLQPGQQNQRVVKLEDGSVLNRYWDDRDTPRPESWVEDIATVKSNPNRPATEIYRDLRSAAASGWDF... | 0 |
15,569 | 80,875 | UN | 80,875 | A1CVK0 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MTTDSSMPATVIGKAEFSNTKAASEFGTNLSRWRLNVDNGRHMWEYLESEDEARKRPQSILEKYWLGLPYELPARPRATRALEAVENGWEFFKRLQTADGHWGCNDDGPLFVTSGMVIARYIVGIPIDSHMKQEMCRYLLNVVNEDGGWGLFIQSPSTVFGTVMNYCMLRILGLGPEHPAMARARNTLHRLGSASATPTWGKFWLCVLGVYEWEGMIPLPPEPLLVPASLPFNPGKWWVHTRNVYISMSYLYGHRFSMPPNKLVQALRDELYDIPYEQINWPAQRTNVSAADRLTDPTWIQRSFTSALTTYETFKIPFLR... | 0 |
15,570 | 79,083 | UN | 79,083 | P0C934 | C[C@H](CC[NH3+])[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[... | null | C[C@H](CCN)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(=O)O.N.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2... | MKTQEIMTMLEAKHPGESEFLQAVKEVLLSVEEVYNQHPEFEKNGIIERIVEPDRVFTFRVPWVDDQGKVQVNIGYRVQFNNAIGPYKGGIRFHPSVNLSILKFLGFEQMFKNALTTLPMGGGKGGADFSPKGKSEAEIMRFCQSFMTELWRNIGPDTDIPAGDIGVGGREVGYMFGMYKKLAREHTGTLTGKGFEFGGSRLRPESTGFGAVYFVQNMCKQNGVDYKGKTLAISGFGNVAWGVAQKATELGIKVVTISGPDGYVYDPDGINTPEKFRCMLDLRDSGNDVVSDYVKRFPNAQFFPGKKPWEQKVDFAMPCA... | 0 |
15,571 | 50,340 | UN | 50,340 | F1CMX0 | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>[H][C@@]12CCC3=CC(=O)C[C@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.19 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MSLGTSEQSEIREIVAGSAPARFARGWHCLGLAKDFKDGKPHSVHAFGTKLVVWADSNDEIRILDAYCRHMGGDLSQGTVKGDEIACPFHDWRWGGNGRCKNIPYARRVPPIAKTRAWHTLDQDGLLFVWHDPQGNPPPADVTIPRIAGATSDEWTDWVWYTTEVDTNCREIIDNIVDMAHFFYVHYSFPVYFKNVFEGHVASQFMRGQAREDTRPHANGQPKMIGSRSDASYFGPSFMIDDLVYEYEGYDVESVLINCHYPVSQDKFVLMYGMIVKKSDRLEGEKALQTAQQFGNFIAKGFEQDIEIWRNKTRIDNPLL... | 0 |
15,572 | 66,920 | UN | 66,920 | Q21ZD6 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.14 | O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=S(=O)(O)C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)CS(=O)(=O)O | MNQLDALKQFTTVVADTGDFKQIEAYQPTDATTNPSLILKAVQKPDYRALLTDTVAQFRGRPLDELMDRLLVRFGCEILSIIPGRVSTEVDARLSFDTVASVARAERLIELYQGQGIHVDRVLIKVAATWEGIAAAEQLERRGIHTNLTLLFSFCQAVACAQAKVQLISPFVGRIYDWYKKSAGAAWVEQDNAGAHDPGVQSVRQIFNYYKKFGIATEIMGASFRNVGQITALAGCDLLTISPELLAQLSACKAPLARSLDANAAQSLDLTAVNYDEAGFRFALNEDAMATEKLAEGIRAFCVDAAKLDQLLLAA | 0 |
15,573 | 56,304 | UN | 56,304 | Q0P8J6 | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/C=N/N4CC[NH+](C)CC4)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C(O)=C\2C(/[O-])=C\3C.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/... | 2.7.9.6 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C... | MAELKFKTKAQNLKNLQTKLKKAKVLPLVLTSLEELISNEDKVLQDIQTLKANRLIIRSSSLSEDSMKNSNAGAFLSLANIKADSKDELLKALYEVANSMPSKSDEILVQPMLENITLCGVGFSVDKDNFSPYFCLQYDENGSNSSITDGSSKSAKTYYHYRNYLEFKDIRLQKIIELIKELEVLYDCHFLDVEFAFAIQDDKEELFCLQVRPLVMHEKNNLFHSLPKEALYRFYKRFESLKESRSRVLGDKAIFGVMPDWNPAEIIGLRPKRLAFSLYKEIITDNIWAYQRDNYGYRDLRSHPLIHSFLGIPYVDVRLS... | 0 |
15,574 | 78,495 | UN | 78,495 | E7FHP1 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)([O-])OP(=O)... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCCNO)[C@@H](O)[C@H]2O)c(=O)n1>>CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc... | MDRVAKAREIIEKAKAENRPLVEPEAKEILKLYGIPVPEFKVARNEEEAVKFSGEIGYPVVMKIVSPQIIHKSDAGGVKINIKNDEEAREAFRTIMQNARNYKPDADLWGVIIYRMLPLGREVIVGMIRDPQFGPAVMFGLGGIFVEILKDVSFRVAPITKEDALEMIREIKAYPILAGARGEKPVNIEALADIIVKVGELALELPEIKEIDINPIFAYEDSAIAVDARMIL | 0 |
15,575 | 82,563 | UN | 82,563 | Q54DX7 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MDSNNSNNNNKNLKQICDIPKPQFLSKGVFTLVGVLCKFWISMNTVTTSGIDKLVNEIDKTHQLKRPMITIANHSSNLDDPLLWGVLPNRILMDPSKQRWTLGASNILFTNWFYSKFFSLGKCIKIVRGDGIYQDGMNESIDRLSEGQWLHIFPEGRISQQTQLLYFKWGLGRLVGECYRRTGVVPLVVPIYHQGMEKSMPLAKLPIPRVGINLDIKVGDNIYCDQVISKYIDDNKISDLTDYLSQDDKKRKDFYKTITLHIEDEYQKIIPPTNRGRFSHPTIKD | 0 |
15,576 | 78,979 | UN | 78,979 | Q9FJ32 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12/C=C(/C)CC[C@]13C(=C(C)CC[C@@H]2C(C)C)CC[C@H]3C.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.223 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C[C@H]2[C@@H](C(C)C)CCC(C)=C3CC[C@@H](C)[C@@]32CC1.O=P(O)(O)OP(=O)(O)O | MHGRKREEDPNPEETAAKALELRSLQSQFMSNHHQKIYTKEAIQLSAKLLITNPEFYTAWNYPKLAFESRLDEDSDPSLVNSIIDEELGVVQNALERNVKSYGAWYHRKWVLSKKGHYYPSLENELQLLNDYQKQAHQKQDDEKQDDPSRNFHAWNYRRFVVELTKTSEEDELQYTTDMISDISFTIYSAWHYRSVLVSSLVAKKADGFMPKETIRRELDYVHSAIFTLEEKQSGWFYYLWLLDQTVKMEIPLRFSSWPSDGSIIILSGPDCFNASSSTTKLTTFCSESGSFPLILYFDQAVSGVSSSTVTIGSELKDLV... | 0 |
15,577 | 82,563 | UN | 82,563 | A1AAH3 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MTTVYTLVSWLAILGYWLLIAGVTLRILMKRRAVPSAMAWLLIIYILPLVGIIAYLAVGELHLGKRRAERARAMWPSTAKWLNDLKACKHIFAEENSSVAAPLFKLCERRQGIAGVKGNQLQLMTESDDVMQALIRDIQLARHNIEMVFYIWQPGGMADQVAESLMAAARRGIHCRLMLDSAGSVAFFRSPWPELMRNAGIEVVEALKVNLMRVFLRRMDLRQHRKMIMIDNYIAYTGSMNMVDPRYFKQDAGVGQWIDLMARMEGPIATAMGIIYSCDWEIETGKRILPPPPDVNIMPFEQASGHTIHTIASGPGFPED... | 0 |
15,578 | 70,779 | UN | 70,779 | Q5V3L1 | OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(... | 1.1.1.432 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H]1OC(O)[C@H](O)[C@... | MKVIGVTRDDDGPQLLERERPSPDPGEALVRTLRVGVDGTDHEVLNGSHGGFPDGADHMILGHEAVGVVEEPNGTGLEAGQVVAPTVRRKPNGETNEYFRRGEPDMAPDGEYTERGIVGDHGFMAEYFTSPADFLVPVPKSVAEYGFLVEPLSITEKANEHAYATREPFDWRPDSACVLGNGSLGLLTLWMLDQEYDRTYCVGRRDRPDPTVDIIDEIGSTYVDSRETPVDELPGAYEAMDYIYEATGFAPHAFQTVKALDQNGVGVLLGIPEPWEFEVDGGSLHNEIVLHNKCLIGTVNSHVSHFEDAVETLQELPAWL... | 0 |
15,579 | 12,885 | UN | 12,885 | P9WMZ3 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)C3... | 2.4.1.110 | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)c3c(=O)[nH... | MSRVLLVTNDFPPRRGGIQSYLGEFVGRLVGSRAHAMTVYAPQWKGADAFDDAARAAGYRVVRHPSTVMLPGPTVDVRMRRLIAEHDIETVWFGAAAPLALLAPRARLAGASRVLASTHGHEVGWSMLPVARSVLRRIGDGTDVVTFVSSYTRSRFASAFGPAASLEYLPPGVDTDRFRPDPAARAELRKRYRLGERPTVVCLSRLVPRKGQDTLVTALPSIRRRVDGAALVIVGGGPYLETLRKLAHDCGVADHVTFTGGVATDELPAHHALADVFAMPCRTRGAGMDVEGLGIVFLEASAAGVPVIAGNSGGAPETVQ... | 0 |
15,580 | 69,468 | UN | 69,468 | B7MXT4 | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] | 2.6.1.122 | CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1N.O=C(O)CCC(=O)C(=O)O>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.N[C@@H](CCC(=O)O)C(=O)O | MSGFLPFSRPAMGVEELAAVKEVLESGWITTGPKNQALEQAFCQLTGNQHAIAVSSATAGMHITLMALEIGKGDEVITPSLTWVSTLNMISLLGATPVMVDVDRDTLMVTPEAIEAAITPRTKAIIPVHYAGAPADIDAIRAIGERYGIAVIEDAAHAVGMYYKGRHIGAKGTAIFSFHAIKNITCAEGGLIVTDNENLARQLRMLKFHGLGVDAYDRHTWGRAPQAEVLTPGYKYNLTDINAAIALTQLVKLEHLNTRRREIAQQYQQALAALPFQPLSLPAWPHVHAWHLFIIRVDEQRCGISRDALMEALKERGIGA... | 0 |
15,581 | 17,809 | UN | 17,809 | A7I7N1 | C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N... | 2.1.1.11 | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)... | MRDPVTGFVYPAAWVEKVSDPAGLEKVRGGSAVLTSSGTVLLRGYTTGTTAAAACKAAILSLAGDISRVTIQLPCGLSADLPVKARAGHASCRKYAGDYPSDVTAGIEFIADAAVAQKGILLVPGPGIGHFVRDTPRYKKREPAISTAPLACILSSMEEALGATGLSGATVTLSIPEGRTIADQTLNPRIGIEGGISVLGSTGLVEPWDDHLEDSVIARVAGATDPVITTGRVGLRYARLLFPDREVVLAGGKIKGALAAAKGEVTLCGLPALILKYIEPHILDKTGYATVEELAASPSFPSVALPILVAYKKKHPRVRV... | 0 |
15,582 | 49,412 | UN | 49,412 | G5EFP5 | C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O.CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O... | 2.4.1.341 | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O.Nc1nc... | MRVRPASVYRYLLLGVCALLGIYTVYSIIGYDDGSHVPIHRPQRHLYLTVSQDRIGSRFGKLAPKRILYWTTIFGATVPSTALSDCPGLTDRCVIDTNRHQLDSADAVVFHAADISKFPLPVSRKPDQIFVFNSMETPDNSGRFAVPDGFFNWTSTHLYSSDAIHKYGTFLIPTQIAESRGFKVQSYYVQPKRLVKTMKGIFGLISNCHTKSKRELALQELGKHINVTIGGKCASDDRLKSICPAGVECIDVFEQYPFYIAIENTVCNDYVTEKIWSRITVPSIPIVMRRRVYQNILPPKSFIAMDDYKNPSEMANHLRS... | 0 |
15,583 | 78,487 | UN | 78,487 | Q97VS5 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.O=C=O | null | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C=O | MKSSLDFLNNFIQRDAVKKLESINNYPLIEFLNSVVKLCEPDSVYLITGSDEEKEYIRKKALESKEEIRLQTSGHTIHFDHPLDQARAREDTFILSDTKIPYVNTKPRNEGLSEMLTLLKGSMRGREMYVGFYSLGPRNSPFQILAVQVTDSPYVIHSENILYRIAFEDFSNNTKFLRFVHSKGEPDIKKRRIMIDLANNTVYSVNTTYAGNSVGLKKLALRLTIMKAVEEGWLSEHMAIVGFNGDKGIHYFTASFPSGSGKTSTSMIGNLISDDLAFIREFEGLPKAVNPEIGVFGIIQGINARDDPIIWEVLHKPGEV... | 0 |
15,584 | 69,312 | UN | 69,312 | O49326 | O=S(=O)([O-])O/N=C(\[S-])CC1=CC=CC=C1>>N#CSCC1=CC=CC=C1.O=S(=O)([O-])[O-] | 4.8.1.7 | O=S(=O)(O)O/N=C(\S)Cc1ccccc1>>N#CSCc1ccccc1.O=S(=O)(O)O | MVQKVEARGGEIGDVWDDGAYDGVRKVYVGQGEDGIAFVKFEYVNGSQEVVGDERGKKTLLGAEEFEVDPDDYIVYVEGYHEKVFGVTTKEIISTLTFKTYKGKTSPPFGIVSGTKFVLQGGKIVGFHGRSTDVLHSLGAYISSPATPKLRGKWIKVEQKGEGPGPRCSHDIAQVGNKIFSFGGELTPNQPIDKHLYVFDLETRTWSISPATGDVPNLSCLGVRMVSIGSSLYVFGGRDASRKYNGFYSFDTTKNEWKLLTPVEQGPTPRSFHSMTADENNVYVFGGVSATVRLKTLDAYNIVDHKWVQCSTPGGSCSVR... | 0 |
15,585 | 81,407 | UN | 81,407 | B1IN35 | NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1C=O.C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.CSCC[C@H]([NH3+])C(=O)[O-].[H+] | 5.3.99.13 | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>CSCC[C@H](N)C(=O)O.C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1C=O | MLDKHGRKINYLRVSVTDRCNLRCVYCMPPEGIVKKEHDNIMRYEEIFKVVKSASLLGVNKIRFTGGEPLILKDIDKLIYNTSKINSIKDIAMTTNAILLEDMVEELKKDGLKRVNISLDSLKEDRFKSITRGGDINKVFKSIEKSLSIGMKPIKINTVIMKGINDDEIDDFMNLTKKYPISVRFIELMPIGEGRKLYEDSYISSEEIISKHSDLIPVETDKSSTALLYKFKESKENIGFISPMSCKFCSGCNRVRLTSEGTLKPCLHSEKEVDLKNYVDSSQALLSKINETIYNKPLEHHMIEEKESKSKKMMYQIGG | 0 |
15,586 | 78,971 | UN | 78,971 | O23722 | C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H+]>>C=C(C)CCOP(=O)([O-])[O-].O=C=O | 4.1.1.126 | C/C(=C\C(=O)O)CCOP(=O)(O)O>>C=C(C)CCOP(=O)(O)O.O=C=O | MAEEKWVVMVTAQTPTNIAVIKYWGKRDEVRILPINDSISVTLDPDHLCTLTTVAVSPSFDRDRMWLNGKEISLSGSRYQNCLREIRSRADDVEDKEKGIKIAKKDWEKLHLHIASHNNFPTAAGLASSAAGFACLVFALAKLMNVNEDPSQLSAIARQGSGSACRSLFGGFVKWNMGNKEDGSDSVAVQLVDDKHWDDLVIIIAVVSSRQKETSSTSGMRESVETSLLLQHRAKEVVPVRILQMEEAIKNRDFTSFTKLTCSDSNQFHAVCMDTSPPIFYMNDTSHRIISLVEKWNRSAGTPEIAYTFDAGPNAVMIAR... | 0 |
15,587 | 46,784 | UN | 46,784 | Q9SZ42 | *OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.36 | *OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAVSLPTKYPLRPITNIPKSHRPSLLRVRVTCSVTTTKPQPNREKLLVEQRTVNLPLSNDQSLQSTKPRPNREKLVVEQRLASPPLSNDPTLKSTWTHRLWVAAGCTTLFVSLAKSVIGGFDSHLCLEPALAGYAGYILADLGSGVYHWAIDNYGDESTPVVGTQIEAFQGHHKWPWTITRRQFANNLHALAQVITFTVLPLDLAFNDPVFHGFVCTFAFCILFSQQFHAWAHGTKSKLPPLVVALQDMGLLVSRRQHAEHHRAPYNNNYCIVSGAWNNVLDESKVFEALEMVFYFQLGVRPRSWSEPNSDWIEETEISN... | 0 |
15,588 | 80,863 | UN | 80,863 | Q8BUY9 | CC1=CC(O)=CC(=O)O1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.Cc1cc(O)cc(=O)o1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.O=P(O)(O)OP(=O)(O)O | MATTEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLSRCGFRGSSYLGIPFNPSKNPGAAHPYDSGHIAMTYTGLSCLIILGDDLGRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | 0 |
15,589 | 69,316 | UN | 69,316 | F4K1R2 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCSC#N.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCSC#N.O=S(=O)(O)O | MEARRLAILCSHLNPPGPNPTRDPTLRVSDCSSGSSGDGKVESSTLQNDCVFCKIIRGESPCLKLYEDDMCLCILDTNPLSHGHSLIIPKLHYPTLEETPPSVVAAMCSKVPLISNAIVKATGSDSFNLLVNNGAAAGQVIFHTHIHIIPRKERDCLWASESLRRHSLKLDKEASQLVSCVRRHLCSLPEEQLVQPS | 0 |
15,590 | 49,512 | UN | 49,512 | P0AC37 | O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | null | O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MKKILTTPIKAEDLQDIRVGDVIYLTGTLVTCRDVCHRRLIELKRPIPYDLNGKAIFHAGPIVRKNGDKWEMVSVGPTTSMRMESFEREFIEQTGVKLVVGKGGMGPLTEEGCQKFKALHVIFPAGCAVLAATQVEEIEEVHWTELGMPESLWVCRVKEFGPLIVSIDTHGNNLIAENKKLFAERRDPIVEEICEHVHYIK | 0 |
15,591 | 80,883 | UN | 80,883 | Q06504 | [H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@... | null | C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O... | MTTIQPFEPVDLFKTNNVNLDILTENFPLEFYFEYMIIWPDLFFKSSEMTVDPTFKHNISGYMMAKTEGKTTEWHTHITAVTVAPRFRRISLASKLCNTLETMTDVMPHEVNFIDLFVKCNNQLAIKLYEKLGYSVYRRVVGYYNSAEDGYPDTLKKVDDNKDAFDMRKAMARDRNRSVRPDGRSHKCYPHDVRF | 0 |
15,592 | 76,435 | UN | 76,435 | Q92506 | CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@@H](C(C)(C)O)O2.*.*>>CCCC[C@@H]1OC(=O)C2=C1C=CC1=C2O[C@H](C(C)(C)O)C1.[H]*[H].[H]*[H] | null | CCCC[C@H](O)c1ccc2c(c1CO)O[C@H](C(C)(C)O)C2>>CCCC[C@@H]1OC(=O)c2c1ccc1c2O[C@H](C(C)(C)O)C1 | MASQLQNRLRSALALVTGAGSGIGRAVSVRLAGEGATVAACDLDRAAAQETVRLLGGPGSKEGPPRGNHAAFQADVSEARAARCLLEQVQACFSRPPSVVVSCAGITQDEFLLHMSEDDWDKVIAVNLKGTFLVTQAAAQALVSNGCRGSIINISSIVGKVGNVGQTNYAASKAGVIGLTQTAARELGRHGIRCNSVLPGFIATPMTQKVPQKVVDKITEMIPMGHLGDPEDVADVVAFLASEDSGYITGTSVEVTGGLFM | 0 |
15,593 | 18,602 | LR | 18,601 | Q0RWC9 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | MNETDIEGARVVVAEACRVAAARGLMEGILGHISFRVSPDLLLIRCRSADDTGVAYTRPSDIRLVRFDGTAGAPGELDNGYQVPKELPVHVESMRASPDIRAVAHLHPPSIVAADLAGISLRPIYGAYDIPGAVLARGGVPVYRRAVLIHSTQLGKEMVTAMGDRPVVICRGHGITSVASSVQQSVLQAASLEELARMSLAVVSAGGTLVDIDDADWEDLPDLGANFNTGAVWRHEVARAATV | 1 |
15,594 | 46,772 | UN | 46,772 | O22832 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKFNPLVASQPYKFPSSTRPPTPSFRSPKFLCLASSSPALSSGPKEVESLKKPFTPPREVHVQVLHSMPPQKIEIFKSMENWAEENLLIHLKDVEKSWQPQDFLPDPASDGFEDQVRELRERARELPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARQAKEHGDIKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVMAFADMMRKKISMPAHLMYDGRNDNLFDNF... | 0 |
15,595 | 77,079 | UN | 77,079 | B4T688 | C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+] | null | CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3 | MNRLPSSASALACSAHALNLIEKRTLNHEEMKALNREVIDYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRRPFMPLLPGFRHVPFGNIDAMSMAFSEGKKTGDEIAAVILEPIQGEGGVILPPQGYLTEVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS... | 0 |
15,596 | 81,079 | UN | 81,079 | P26841 | [H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(COC(C)=O)CCC[C@]2(C)CO.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[C@]1(CO)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccc(O)cc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C... | MGNYFESPFRGKLLSEQVSNPNIRVGRYSYYSGYYHGHSFDDCARYLMPDRDDVDKLVIGSFCSIGSGAAFIMAGNQGHRAEWASTFPFHFMHEEPVFAGAVNGYQPAGDTLIGHDVWIGTEAMFMPGVRVGHGAIIGSRALVTGDVEPYAIVGGNPARTIRKRFSDGDIQNLLEMAWWDWPLADIEAAMPLLCTGDIPALYRHWKQRQATA | 0 |
15,597 | 77,075 | UN | 77,075 | P0DO38 | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)... | null | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1CCC2C3(C)CC4CC12CCC4(C)O3.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.Cc1cc2nc3c(=O)[... | MDISISWVVIIVFVLSYLILMDKWRASKLPGNLPPSPPKLPVIGHLHLLRGGLPQHVLRGITQKYGAVAHLQLGEVHSVVLSSAESTKQAMKVLDPTFADRFDSIGSQIMWYNNDDMIFSRYNDHWRQIRKICVSELLSPRNVRSFGFIRQDEMARLIRVFESSEGAAINASEEISKMSCAIVCRAAFGSVLKDQGKLADLVKEALSMASGFELADLYPSSWLLNLLCFNKYRLQRMRGRLDNILDGFLEEHKVKKSGEFGGEDIIDVLYRMQKDTEMKAPITNNGIKGFIFDVFSAGTETSATTIQWALSELMKNPEKM... | 0 |
15,598 | 70,811 | UN | 70,811 | Q7MDD4 | O=C(CO)[C@H](O)CS(=O)(=O)[O-].[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.15 | O=C(CO)[C@H](O)CS(=O)(=O)O.O=C[C@H](O)COP(=O)(O)O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=CCS(=O)(=O)O | MDRKHLANAIRALSMDGVQKANSGHPGAPMGMADIAEVLWRGHLNHNPSNPEWADRDRFVLSNGHGSMLIYSLLHLSGYELSIDDLKNFRQLHSKTPGHPEYGYAPGIETTTGPLGQGITNAVGMAMAEKALAAQFNKEGHDIVDHFTYVFMGDGCLMEGISHEACSLAGTLGLGKLIAFWDDNGISIDGHVEGWFSDDTPKRFEAYGWHVIPAVDGHNAEAINAAIEAAKADPRPTLICTKTIIGFGSPNKSGSHDCHGAPLGAEEIAATRKELGWEHGPFEIPQEVYAEWSAKEAGAAKEAAWNEKFAAYEAAYPELA... | 0 |
15,599 | 78,975 | UN | 78,975 | Q8PTX6 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MISEVDMDDNFLGLRARDEFYSGKHIHRASQLILLDPENRILLQKRSPGKFWFPNRYTYSVSGTVADESYEACIAREMLEEIGISVPFRRLFKIPCIRENKGAYHTIFSGRCSEEAASLIRHDLEEATSIEWVELEELHRAVKAEPGNYTPALREGIIKIFKEGCEKYLF | 0 |
15,600 | 75,263 | UN | 75,263 | O09046 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=O>>O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2.[H]OO[H] | 1.1.3.50 | O=O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MAGLALRLVLAATLLGLAGSLDWKAASSLNPIEKCMEDHDYEQLLKVVTLGLNRTSKPQKVVVVGAGVAGLVAAKMLSDAGHKVTILEADNRIGGRIFTFRDEKTGWIGELGAMRMPSSHRILHKLCRTLGLNLTQFTQYDENTWTEVHNVKLRNYVVEKMPEKLGYNLNNRERGHSPEDIYQMALNKAFKDLKALGCKKAMNKFNKHTLLEYLLEEGNLSRPAVQLLGDVMSEEGFFYLSFAEALRAHACLSDRLRYSRIVGGWDLLPRALLSSLSGALLLNAPVVSITQGRNDVRVHIATSLHSEKTLTADVVLLTAS... | 0 |
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