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
14,995
69,611
UN
69,611
B5FTN7
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
MIPPEIRRSVLLQKAIKLALAGTLLTFASFSATAADPSSDTETPQPPDILLGPLFNDVQNAKLFPDQKTFADAIPNSDPLMILADYRMQRNQSGFDLRHFVDVNFTLPKAGEKYVPPAGQSLREHIDGLWPVLTRSTKNVEKWDSLLPLPESYVVPGGRFREIYYWDSYFTMLGLAESGHWDKVADMVANFGYEIDAWGHIPNGNRTYYLSRSQPPFFAFMVELLAQHEGDDALKEYLPQLQKEYAYWMEGVETLQPGQQNQRVVKLEDGSVLNRYWDDRDTPRPESWVEDIATVKSNPNRPATEIYRDLRSAAASGWDF...
0
14,996
81,167
UN
81,167
Q40061
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)[O-].O=C=O
null
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)O.O=C=O
MAKVMNLTPVHASSIPDSFLLPADRLHPATTDVSLPIIDMSRGRDEVRQAILDSGKEYGFIQVVNHGISEPMLHEMYAVCHEFFDMPAEDKAEFFSEDRSERNKLFCGSAFETLGEKYWIDVLELLYPLPSGDTKDWPHKPQMLREVVGNYTSLARGVAMEILRLLCEGLGLRPDFFVGDISGGRVVVDINYYPPSPNPSRTLGLPPHCDRDLMTVLLPGAVPGLEIAYKGGWIKVQPVPNSLVINFGLQLEVVTNGYLKAVEHRAATNFAEPRLSVASFIVPADDCVVGPAEEFVSEDNPPRYRTLTVGEFKRKHNVVN...
0
14,997
78,499
UN
78,499
O75356
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.[H]O[H]>>CC(=O)N(O)CCCP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]
null
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.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
MATSWGTVFFMLVVSCVCSAVSHRNQQTWFEGIFLSSMCPINVSASTLYGIMFDAGSTGTRIHVYTFVQKMPGQLPILEGEVFDSVKPGLSAFVDQPKQGAETVQGLLEVAKDSIPRSHWKKTPVVLKATAGLRLLPEHKAKALLFEVKEIFRKSPFLVPKGSVSIMDGSDEGILAWVTVNFLTGQLHGHRQETVGTLDLGGASTQITFLPQFEKTLEQTPRGYLTSFEMFNSTYKLYTHSYLGFGLKAARLATLGALETEGTDGHTFRSACLPRWLEAEWIFGGVKYQYGGNQEGEVGFEPCYAEVLRVVRGKLHQPEE...
0
14,998
51,636
UN
51,636
E0TW65
O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*]
1.97.1.14
O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O
MEHAEHGNSNAPMEYQSETGRLNILGFWIFLGAEIVLFSTLFATFFVLQNRTAGGVLPDELFEVNLVMIMTFLLLISSFTCGIAVHEMRRGSLKGVVIWTIITLLLGAGFVGCEINEFVHYVHEGASLGTSAFWSGFFVLLGTHGTHVTIGIFWIIGILIQLKKRGLTPQTSSKIFISSLYWHFLDVVWIFIFTGVYLMGLGGL
0
14,999
81,487
UN
81,487
A7ZTZ8
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
MNNNTTAPTYTLRGLQLIGWRDMQHALDYLFADGQLKQGTLVAINAEKMLTIEDNAEVRELINAAEFKYADGISVVRSVRKKYPQAQVSRVAGADLWEELMARAGKEGTPVFLVGGKPEVLAQTEAKLRNQWNVNIVGSQDGYFKPEQRQALFERIHASGAQIVTVAMGSPKQEIFMRDCRLVHPDALYMGVGGTYDVFTGHVKRAPKIWQTLGLEWLYRLLSQPSRIKRQLRLLRYLRWHYTGNL
0
15,000
76,103
UN
76,103
Q4WAW6
CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=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>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
null
CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MTQAVDIGTIQTLIRLEVPDQVPLTGSIPYDALVKKLKTPVDPELLQRLIRFTRLVGFLDEDAEGAVKHSPMSAIFVNDPDTAGQARFMADFGIRPCSFIYESIKLDPSGEAARQGPLALMAREPGAREGPTFFEVLEKDPVNRKRWHDGMAVHNDSMVRHVAGAYDWGTVQSLVDIGGSEGHVAAVIVNAFPHIQITVQDLPEIIEKARQRGDRHPNIIFEEHDFFTPQPRIADAYFLRLILHDWNDADCTRIVRQISSALRPGARLLIMDAVLPEPGEGSLQSERRLRRSDIGMYTLFSAKERSLAQMRRLVEDCDSR...
0
15,001
70,803
UN
70,803
Q7MHK7
O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]
2.2.1.15
O=C[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)COP(=O)(O)O.O=C[C@H](O)[C@H](O)CS(=O)(=O)O
MPSRKHLANAIRALSMDGVQKANSGHPGAPMGMADIAEVLWRGHLNHNPSNPEWADRDRFVLSNGHGSMLIYSLLHLSGYELSIDDLKNFRQLHSKTPGHPEYGYAPGIETTTGPLGQGITNAVGMAMAEKALAAQFNKEGHDIVDHFTYVFMGDGCLMEGISHEACSLAGTLGLGKLIAFWDDNGISIDGHVEGWFSDDTPKRFEAYGWHVIPAVDGHNAEAINAAIEAAKADPRPTLICTKTIIGFGSPNKSGSHDCHGAPLGAEEIAAAREFLGWEHPAFEIPADVYAEWDAKAAGAAKEAAWNAKFDAYAAAYPAE...
0
15,002
56,480
UN
56,480
A2R6G7
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)C(*)=O.[Br-].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=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=C(Br)C(Br)=C(Br...
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1[nH]c(Br)c(Br)c1Br)C(*)=O.Cc1cc2...
MEIPHKATVLVIGGGPGGSYTASALAREGIDIVLLEADVFPRFIDLDETFVNYGFVRKNASHGSLADTDFILQPGADTFAWNVVRSECDDLMFKHASNSGARAFDGVKVTAIEFDPLDESAIDDHPGRPVSASWKAKDGRTGSISFDYLVDASGRAGIASTKYLKSRTYNSYLKNVASWGYWRGATPYGVGTSVEGQPYFEALQDGSGWVWFIPLHNGTTSVGVVMNQELATQKKKSSTVTSSRAFYLESVEGARVISQLLQPANLDGEIKQASDWSYNASSYGSPYLRIVGDAGAFIDPYFSSGVHLAVSGGLSAAVSI...
0
15,003
49,504
UN
49,504
P56418
[H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-]
4.2.1.166
O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O
MKDFLEDYKKSVSERGSEGIPPLPLNAKQVQAVVEILTKDPTNAAFAKELLIHRVSPGVDEGAKVKAEFLAKLSQKKLECVHISALEATTLLGTMLGGYNVEPLIMGLESQDKNIAKESAKALKTTLLVYGSFDKIAAMSKTNALAKEVLESWANAEWFLNKEPLNECIEACVFKIDGETNTDDLSPASDAFTRSDIPLHAKAMLKNRIENYEQRIKAIKTKGVPVAYVGDVVGTGSSRKSATNSIMWHFGKDIPFVPNKRSGGIVIGGVIAPIFFATCEDSGALPIVADVKDLKEGDLIKIYPYKGEITLNDKVVSTFK...
0
15,004
77,755
UN
77,755
A0A348HAY4
C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+]>>C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H]O[H].[H]O[H]
null
C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)C(=O)O>>C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.O.O
MQEAQVDVKVQSTKTLVMSSQYDKEIAAVAHYMHNYHINDRTTYQKARISLLDSLGCAIETVSKSAEVRSLLGPAVPGSKIPNGFRLPGTSYVLSPVEGAFDMGILIRYLDHNDALGGAEWGHPSDNLGAILSVMDWISRSSAAGIFTHNGPPMTMHTLLTATIKAYEIQGCYQLLNAFNIYGIDHVVLVKLASTAAVSWLLGLTEEQTMAAISHVWMDGQPTRVYRSGEDTIPRKGWAAGDACMRAVHIAFLVKHGQPGSPGALTNPRSGFYVKTFGDKGFQFARPFGEWAIRNVYLKTMPVEGHGISSVEAALIQRER...
1
15,005
56,480
UN
56,480
O06834
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)C(*)=O.[Br-].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=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=C(Br)C(Br)=C(Br...
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1[nH]c(Br)c(Br)c1Br)C(*)=O.Cc1cc2...
MKKRIGIVGAGTAGLHLGLFLRQHDVDVTVYTDRKPDEYSGLRLLNTVAHHAVTVQREVALDVNEWPSEEFGYFGHYYYVGGSQPMRFYGDLKAPSRAVDYRLYQPMLMRALEARGGKSCYDDVSTEDLEGLSEQYDLLVVCTGKNALGKVFEKQSENSPFEKPQRALCVGLFKGIKEAPIRAVTMSFSPGHGELIEIPTLSFNGMSTALVLENHIGSDLEVLAHTKYDDDPRAFLDLMLEKLRKHHPSVAERIDPAEFDLANSSLDILQGGVVPAFRDGHATLSNGKTIIGLGDVQATVDPVLGQGANMASHAAWILGE...
0
15,006
79,055
UN
79,055
A2C539
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
MFNDLLSELTKNILEHGGKKLIVPNEFCECVSKQGNCKLNSWLWDVPGFRRWRVTRLDAGDRLQVLNSVAYPNEQNDMPIMGIDLLWFEKKQKLVAILDFQPLVQDKEYLDRYFDGLKSLKKSFNEFNSDMKSNIYDPTKYFSPWALFCKGGNFEAENILPKIFSSFLKCYWKNLDLSKANENHIKSQEVSILHIDYDKYSAEKDPAHGLFSGFFGKEWSEKYMKEFLFPLSLENINS
0
15,007
56,352
UN
56,352
P51581
[Br-].O=C([O-])C1=CC=C(O)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.[H+].[H+]>>O=C([O-])C1=CC(Br)=C(O)C=C1.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)([...
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)c1ccc(O)cc1.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)c1ccc(O)c(Br)c1
MAVFGVTIALLVWVATLLIVSIWKQIYSSWNLPPGPFPLPILGNIFQLDLKNIPKSLTKLAERFGPVFTLHLGSKRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYMNKGIIFNNGPTWKDVRRFSLSILRDYGMGKQGNEARIQREAHFLMEELKKTNGQPFDPTFLVGCAPFNVISDILFHKRFDYNDKTCLRLMSLFNENFYLLSTPWIQAYNNFENYLRYLPGSHRKIMKNASEIRQYTLAKAKEHLQSLDSSCPRDVTDCLLIEMEKEKDSQEPMYTMENISVTLADLFFAGTETTSTTLRYGLLILMKYPE...
0
15,008
77,883
UN
77,883
P30830
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H]>>O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO.O=P([O-])([O-])O
3.1.3.109
O.O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO.O=P(O)(O)O
MSPKTETKASVGFKAGVKDYKLTYYTPDYETKSTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVAGEESQFIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPPAYSKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIYKSQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTTLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRM...
0
15,009
80,651
UN
80,651
Q5Z1U0
[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
MRHGDISSSPDTVGVAVVNYKMPRLHTKAEVLDNCRRIADMLVGMKSGLPGMDLVVFPEYSTQGIMYDEQEMYDTAATVPGEETAIFSAACREAGVWGVFSITGEQHEDHPRKPPYNTLVLIDDHGEIVQKYRKILPWCPIEGWYPGDTTYVTEGPKGLKISLIVCDDGNYPEIWRDCAMKGAELIVRCQGYMYPSKDQQVLMAKAMAWANNCYVAVANAAGFDGVYSYFGHSALIGFDGRTLGETGEEEYGIQYAQLSISAIRDARAHDQSQNHLFKLLHRGYSGVHAAGDGDRGVADCPFEFYKLWVTDAQQARERVE...
0
15,010
12,000
UN
12,000
P33160
[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
MAKVLCVLYDDPVDGYPKTYARDDLPKIDHYPGGQTLPTPKAIDFTPGQLLGSVSGELGLRKYLESNGHTLVVTSDKDGPDSVFERELVDADVVISQPFWPAYLTPERIAKAKNLKLALTAGIGSDHVDLQSAIDRNVTVAEVTYCNSISVAEHVVMMILSLVRNYLPSHEWARKGGWNIADCVSHAYDLEAMHVGTVAAGRIGLAVLRRLAPFDVHLHYTDRHRLPESVEKELNLTWHATREDMYPVCDVVTLNCPLHPETEHMINDETLKLFKRGAYIVNTARGKLCDRDAVARALESGRLAGYAGDVWFPQPAPKDH...
0
15,011
74,523
UN
74,523
Q9NQV7
[NH3+]CCCC[C@H]([NH3+])C(=O)[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.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[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2...
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.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCC[C@H](N)C(=O)O>>CN(C)CCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MSPEKSQEESPEEDTERTERKPMVKDAFKDISIYFTKEEWAEMGDWEKTRYRNVKRNYNALITIGLRATRPAFMCHRRQAIKLQVDDTEDSDEEWTPRQQVKPPWMALRVEQRKHQKGMPKASFSNESSLKELSRTANLLNASGSEQAQKPVSPSGEASTSGQHSRLKLELRKKETERKMYSLRERKGHAYKEVSEPQDDDYLYCEMCQNFFIDSCAAHGPPTFVKDSAVDKGHPNRSALSLPPGLRIGPSGIPQAGLGVWNEASDLPLGLHFGPYEGRITEDEEAANNGYSWLITKGRNCYEYVDGKDKSWANWMRYVN...
0
15,012
79,083
UN
79,083
Q8RHX3
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...
MKKGCKYGTHRVIEPAGVLPQPAKKISNDMEIFSNEILIDVIALNIDSASFTQIEEEAGHDVEKVKAKIKEIVAERGKMQNPVTGSGGMLIGTVEKIGDDLVGKTDLKVGDKIATLVSLSLTPLRIDEIINIKPEIDRVEIKGKAILFESGIYAVLPKDMPENLALAALDVAGAPAQVAKLVKPCQSVAILGSAGKSGMLCAYEAVKRVGPTGKVIGVVRNDKEKALLQRVSDKVKIVIADATKPMDVLHAVLEANDAKEVDVAINCVNVPNTEMSTILPVKEFGIAYFFSMATGFSKAALGAEGVGKDITMIVGNGYTV...
0
15,013
77,079
UN
77,079
Q57JP1
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
MNRLPSSASALACSAHALNLIEKRTLNHEEMKALNREVIDYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSIFRRPFMPLLPGFRHVPFGNIDAMSMAFSEGKKTGDEIAAVILEPIQGEGGVILPPQGYLTEVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS...
0
15,014
80,643
UN
80,643
Q8TPT4
*CS(=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.[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[SH]4[Fe...
1.97.1.13
*CS(=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>>O=S(O)O.[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.[SH]12[Fe]3[SH]...
MVEKSVHEINKKIEDGSVNVVTAEEMVGIVENLGVEGAAREVDVVTTGTFGAMCSSGLMLNLGHSEPPIKIQKLWFNNVEAYSGLAAVDAYLGAAQISDTRGIQYGGAHVIEDLLRGKELDVHATSYGTDCYPRKVLDTRITLDDLNEAVLLNPRNAYQKYAAATNSSKRILNTYMGELLPNFGNVTYSGAGVLSPLSNDPDYETIGMGTRIFMGGAQGYIIGNGTQHSPSSSFGTLMLKGNLKEMSSDYLRAASFAGYGTTLYMGIGIPIPILNEKIAASTAVRDEDIFTDILDYAVGSRDKPVIKQVNYAELRSGSIE...
0
15,015
80,759
UN
80,759
Q6TGQ8
O=C(OCCO)C1=CC=C(C(=O)OCCO)C=C1.[H]O[H]>>O=C([O-])C1=CC=C(C(=O)OCCO)C=C1.OCCO.[H+]
null
O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)OCCO)cc1.OCCO
MNVFFTFSLLFLAALGSCADDRNPLEECFRETDYEEFLEIAKNGLSTTSNPKRVVIVGAGMSGLSAAYVLANAGHQVTVLEASERAGGRVKTYRNEKEGWYANLGPMRLPEKHRIVREYIRKFDLQLNEFSQENENAWYFIKNIRKRVGEVNKDPGVLEYPVKPSEVGKSAGQLYEESLQKAVEELRRTNCSYMLNKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFAYEKRFDEIVGGMDKLPTSMYQAIQEKVHLNARVIKIQQDVKEVTVTYQTSEKETLSVTADYVIVCTTSRAARRI...
0
15,016
77,967
UN
77,967
Q65MR4
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/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=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@]1([H])C2(C)C.O=P([O-])([O-])OP(=O)([O-])O
4.2.3.221
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C.O=P(O)(O)OP(=O)(O)O
MYDITEWKHVFKLDPNKDITDDQLEQLCESGTDAVLIGGSDHVTEDDVLRLMSKVRRFLVPCVLEVSTIDAIVPGFDLYFIPTVLNSRDTDWIAGLHKKAMKEYGELMSPEEIVVEGYCILNQDCKAAALTNADTELDIEDIKAYARVAEHLFRLPVFYLEYSGMLGDSETVKETKAVLQETTLFYGGGIKDAETAVKMAEHADVIVVGNAIYENFEEALKTVQAVKG
0
15,017
78,775
UN
78,775
Q96493
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>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2
null
O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
MSPVSHVAVLAFPFGTHAAPLLTLVNRLAASAPDIIFSFFSTSSSITTIFSPTNLISIGSNIKPYAVWDGSPEGFVFSGNPREPIEYFLNAAPDNFDKAMKKAVEDTGVNISCLLTDAFLWFAADFSEKIGVPWIPVWTAASCSLCLHVYTDEIRSRFAEFDIAEKAEKTIDFIPGLSAISFSDLPEELIMEDSQSIFALTLHNMGLKLHKATAVAVNSFEEIDPIITNHLRSTNQLNILNIGPLQTLSSSIPPEDNECLKWLQTQKESSVVYLSFGTVINPPPNEMAALASTLESRKIPFLWSLRDEARKHLPENFIDR...
0
15,018
56,352
UN
56,352
A0A0K2JKU1
[Br-].O=C([O-])C1=CC=C(O)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.[H+].[H+]>>O=C([O-])C1=CC(Br)=C(O)C=C1.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)([...
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)c1ccc(O)cc1.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)c1ccc(O)c(Br)c1
MVDRDIRIAVVGAGVAGLTVAALLRDRGVDCRVFERAPRLVAVGAGIQLSPNGVRVLHGLGLRDSLAATGVRARAIETRSWADGAPIARTPLGDRCEELYGAPYYLIHRADLHRCLTSLLPASAVELGRACARVEERPDAVRLHFTDGTMADADLVIGADGVHSVVRRSVVRDAPRYAGYAVHRGLVPASVVPSFRDDPRVMFWLGPGRHVTYYPVAGGRTVHFSAVGVSPEESPGGGPEDLGAAFGHWHEEVRRVVTSASSVTRWGLYDRDIPDRYATGRVVLLGDAAHPTLPYLSQGANQALEDVTTLVGCLDARPGA...
0
15,019
47,044
UN
47,044
B0MC58
C[N+](C)(C)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(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[N+](C)(C)C.CC(=O)CC(=O)[O-]
2.3.1.317
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[N+](C)(C)CC(=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)C[N+](C)(C)C
MSFKEEYQKKLKTADEAVKVVKSGDWLEYGWCVTTPAALDKALAKRMPELENINIRGGIVMWPLEITKIDSPADHFTWNSWHMGGLERKWIKEGFSYYAPIRYSELPGYYRNYIDHVDVAMMQVAPMDEHGFFNFGPSASHLAAMLEKADCVIVEVNENMPRCLGGFEEGVHISKVDMIVEGENPAIAELGGGGAATDVDKAVAKLIVDQIPNGACLQLGIGGMPNAVGSMIAESDLKDLGVHTEMYVDAFVDIAKAGKITGARKNIDRYRQTYAFAAGTKKLYDYLNDNPECMSAPVNYTNDIARVSSIDNFISINNAV...
0
15,020
78,483
UN
78,483
E1BCH6
[NH3+]C(CCP(=O)([O-])O)C(=O)[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1>>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.O=P([O-])([O-])OP(=O)([O-])O
null
NC(CCP(=O)(O)O)C(=O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>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.O=P(O)(O)OP(=O)(O)O
MELGPPGGSGPAEPGPRLRGLRGADAAASASSLSRFGAEAGCRASAVAAVLPAGGSGERMGVPTPKQFCPILERPLISYTLQALERVSWIKDIIVAVTRENMETMKGIIQRYQHKRISLVEAGVTRHRSIFNGLKALAEDQPNCRLSKPEVVIIHDAVRPFVEEDVLLKVVTAAQEHGASGAIRPLVSTVISPSADSCLDHSLERARYRASEMPQAFLFDVIYDAYQQCSDYDLEFGTECLHLALKYSHIKAKLVEGSPDLWKVTYKRDLYAAESIIKERISQKVCVVMDTKEDEEHVGHCLEEMLKTELNHVKVTSGQD...
0
15,021
76,107
UN
76,107
A0A0F7TZD6
COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C([O-])CCC(=O)[O-].O=C=O
null
COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C(O)CCC(=O)C(=O)O.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C(O)CCC(=O)O.O=C=O
MAPMNPPRLQRFPATASADQIFAAFKEDGCVVIEGFIPPDQVARFSQEVNPAMEKITVEVTNDGNSNDRTKRFSKCAIASPTFRNEIIESDLMHELCDRIFSNPGEGMGYHFNDTMVIEVQPGAPAQRLHRDQELYPWWNSMGPAGPECIMNFFCAVTPFTEENGATRLAPGSHLWPEFTQINERDCPQFGKIETAPAIMQPGDCYLMSGKVVHGAGHNTTTTDQRRALALSIIRRELRPVQAFSLSVPMKLAREMSERSQTMFGFRSAVQHCDGDMVHFWGNDGKDIAHHLGLEAPSVHI
0
15,022
30,483
UN
30,483
Q7Z449
CC[C@H](C)[C@H](NO)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-].O=O>>CC[C@H](C)[C@@H](C(=O)[O-])N(O)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+]
null
CC[C@H](C)[C@H](NO)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.O=O>>CC[C@H](C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MSSPGPSQPPAEDPPWPARLLRAPLGLLRLDPSGGALLLCGLVALLGWSWLRRRRARGIPPGPTPWPLVGNFGHVLLPPFLRRRSWLSSRTRAAGIDPSVIGPQVLLAHLARVYGSIFSFFIGHYLVVVLSDFHSVREALVQQAEVFSDRPRVPLISIVTKEKGVVFAHYGPVWRQQRKFSHSTLRHFGLGKLSLEPKIIEEFKYVKAEMQKHGEDPFCPFSIISNAVSNIICSLCFGQRFDYTNSEFKKMLGFMSRGLEICLNSQVLLVNICPWLYYLPFGPFKELRQIEKDITSFLKKIIKDHQESLDRENPQDFIDM...
0
15,023
76,095
UN
76,095
P33260
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
MDPAVALVLCLSCLFLLSLWRQSSGRGRLPSGPTPLPIIGNILQLDVKDMSKSLTNFSKVYGPVFTVYFGLKPIVVLHGYEAVKEALIDHGEEFSGRGSFPVAEKVNKGLGILFSNGKRWKEIRRFCLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTNASPCDPTFILGCAPCNVICSVIFHDRFDYKDQRFLNLMEKFNENLRILSSPWIQVCNNFPALIDYLPGSHNKIAENFAYIKSYVLERIKEHQESLDMNSARDFIDCFLIKMEQEKHNQQSEFTVESLIATVTDMFGAGTETTSTTLRYGLLLLLKYPEVT...
0
15,024
69,468
UN
69,468
A9N5B4
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
MSDFLPFSRPAMGAEELAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGATPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGTAIFSFHAIKNITCAEGGIVVTDNPQFADKLRSLKFHGLGVDAWDRQSGGRAPQAEVLAPGYKYNLPDLNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQPLSLPSWEHIHAWHLFIIRVDEARCGITRDALMASLKTKGIGT...
0
15,025
80,771
UN
80,771
D9J0Z7
[NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[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>>C[NH2+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
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@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MPMRIERDLHMAIGNGETSYTKNSRIQEKAMFQMKSVLEEATRAVCTTLLPQTMVVADLGCSSGPNTLRFVTEVTRIIAHHCKLEHNRRHDHLPQLQFFLNDLPGNDFNNLFQLIEQFNKSSTTHKGDAATEALQPPCYISGLPGSYYTRIFPSESVHLFHSLFCLQWRSQAPEQLKGTQKSCLDIYITKTMSPSMVKLFQQQFQKDFSLFLRLRYEELVSGGQMVLTFIGRKHEDVFTGESNHLYGLLAQSLKSLVDEGLVEKEKLESFYLPIYSPSVGEVEAIVKQLGLFNMNHVKVFEINWDPYDDSEGDDVHNSIE...
0
15,026
80,215
UN
80,215
O82139
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MWKLKIAEGGNPWLRTLNDHVGRQIWEFDPNIGSPEELAEVEKVRENFRNHRFEKKHSADLLMRIQFANENPGSVVLPQVKVNDGEDISEDKVTVTLKRAMSFYSTLQAHDGHWPGDYGGPMFLMPGLVITLSITGVLNVVLSKEHKREICRYLYNHQNRDGGWGLHIEGPSTMFGTVLNYVTLRLLGEGANDGQGAMEKGRQWILDHGSATAITSWGKMWLSVLGVFEWSGNNPLPPETWLLPYILPIHPGRMWCHRRMVYLPMSYLYGKRFVGPITPTVLSLRKEVFSVPYHEIDWNQARNLCAKEDLYYPHPLIQDI...
0
15,027
46,572
UN
46,572
Q64441
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
1.14.19.40
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MSCPIDKRRPLIAFLRRLRDLGQPPRSVTSKAHVKRAPKEVPLCPLMTDGETRNVTSLPGPTNWPLLGSLLEIFWKGGLKKQHDTLAEYHKKYGQIFRMKLGSFDSVHLGSPSLLEALYRTESAHPQRLEIKPWKAYRDHRNEAYGLMILEGQEWQRVRSAFQKKLMKPVEIMKLDKKINEVLADFMGQIDELRDERGRIQDLYSELNKWSFESICLVLYEKRFGLLQKDTEEEALTFIAAIKTMMSTFGKMMVTPVELHKRLNTKVWQAHTLAWDTIFKSVKPCIDHRLERYSQQPGADFLCDIYQQDHLSKKELYAAV...
0
15,028
80,283
UN
80,283
I1RJR2
[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...
MFHLLIYPLWVLVALFAVIIANLLYQQLPRRPDEPPLVFHWFPFFGNAVAYGLDPCGFFEKCREKHGDVFTFILFGRKIVACLGVDGNDFVLNSRLQDANAEEVYGPLTIPVFGSDVVYDCPNSKLMEQKKFVKFGLTQKALESHVQLIEREVLDYVETDPSFSGRTSTIDVPKAMAEITIFTASRSLQGEEVRRKLTAEFAALYHDLDLGFRPVNFLFPWLPLPHNRKRDAAHIKMREVYMDIINDRRKGGIRTEDGTDMIANLMGCTYKNGQPVPDKEIAHMMITLLMAGQHSSSSASSWIVLHLASSPDITEELYQE...
0
15,029
82,336
LR
82,335
Q4R583
*O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])[O-].[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P([O-])([O-])O
null
*O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P(O)(O)O
MKPKLMYQELKVPAEEPANELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLDFPNASTGNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLRQLQTLAPKGVNVRIAVSKPNGPQPQTDLQALLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRFYDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDNARS...
1
15,030
76,583
UN
76,583
B1JVG6
CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=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@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=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)[...
null
CC1(C)CC[C@@H](C(=O)O)N=C1C(=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>>CC1(C)CC[C@@H](C(=O)O)NC1C(=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
MKIAIAGASGRMGRMLIEAVLNDADAQLVGALDRAGSPFLGQDAGAFLGKDTGVKLTDDLDAVFAQAEYLIDFTRPEGTMAHVEAALRHDVKLVIGTTGFTAEQKADLQAAAARIGIVFAANMSVGVNVTLKLLEFAAKHFSHGYDIEIIEAHHRHKVDAPSGTALMMGEAVAGALGRSLDDCAVYGRHGVTGERDPSSIGFAAVRGGDIVGDHTVLFAGIGERIEITHKSSSRVSYAQGALRAVRFLSARGAGLFDMQDVLGLR
0
15,031
82,564
LR
82,563
Q5R4Y7
*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
MKPKLMYQELKVPAEEPANELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLDFPNASTGNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLRQLQTLAPKGVNVRIAVSKPNGPQPQADLQALLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRFYDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDNARS...
1
15,032
79,083
UN
79,083
Q9AJC6
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...
MKVLVLGAGLMGKEAARDLVQSQDVEAVTLADVDLAKAEQTVRQLHSKKLAAVRVDAGDPQQLAAAMKGHDVVVNALFYQFNETVAKTAIETGVHSVDLGGHIGHITDRVLELHERAQAAGVTIIPDLGVAPGMINILSGYGASQLDEVESILLYVGGIPVRPEPPLEYNHVFSLEGLLDHYTDPALIIRNGQKQEVPSLSEVEPIYFDRFGPLEAFHTSGGTSTLSRSFPNLKRLEYKTIRYRGHAEKCKLLVDLTLTRHDVEVEINGCRVKPRDVLLSVLKPLLDLKGKDDVVLLRVIVGGRKDGKETVLEYETVTFN...
0
15,033
80,299
UN
80,299
Q9LM02
[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[C@]21C>>[H][C@]12CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
null
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>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)C(O)O1
MDLASNLGGKIDKSDVLTAVEKYEQYHVFHGGNEEERKANYTDMVNKYYDLATSFYEYGWGESFHFAQRWKGESLRESIKRHEHFLALQLGIQPGQKVLDVGCGIGGPLREIARFSNSVVTGLNNNEYQITRGKELNRLAGVDKTCNFVKADFMKMPFPENSFDAVYAIEATCHAPDAYGCYKEIYRVLKPGQCFAAYEWCMTDAFDPDNAEHQKIKGEIEIGDGLPDIRLTTKCLEALKQAGFEVIWEKDLAKDSPVPWYLPLDKNHFSLSSFRLTAVGRFITKNMVKILEYIRLAPQGSQRVSNFLEQAAEGLVDGGR...
0
15,034
65,788
UN
65,788
O34926
CN(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MSQSIKLFSVLSDQFQNNPYAYFSQLREEDPVHYEESIDSYFISRYHDVRYILQHPDIFTTKSLVERAEPVMRGPVLAQMHGKEHSAKRRIVVRSFIGDALDHLSPLIKQNAENLLAPYLERGKSDLVNDFGKTFAVCVTMDMLGLDKRDHEKISEWHSGVADFITSISQSPEARAHSLWCSEQLSQYLMPVIKERRVNPGSDLISILCTSEYEGMALSDKDILALILNVLLAATEPADKTLALMIYHLLNNPEQMNDVLADRSLVPRAIAETLRYKPPVQLIPRQLSQDTVVGGMEIKKDTIVFCMIGAANRDPEAFEQ...
0
15,035
30,483
UN
30,483
Q4V8D1
CC[C@H](C)[C@H](NO)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-].O=O>>CC[C@H](C)[C@@H](C(=O)[O-])N(O)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+]
null
CC[C@H](C)[C@H](NO)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.O=O>>CC[C@H](C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MSSIGGLRPAAGEQPGVGPHLQAVGGALLLCGLAVLLDWVWLQRQRAGGIPPGPKPRPLVGNFGYLLLPRFLRLHFWLGSGSQTDTVGRHVYLARLARVYGNIFSFFIGHRLVVVLSDFQSVREALVQQAEVFSDRPRMPLISILTKEKGIVFAHYGPIWKQQRRFSHSTLRHFGLGKLSLEPRIIEEFAYVKAEMQKHGEAPFSPFPVISNAVSNIICSLCFGQRFDYTNKEFKKVLDFMSRGLEICLHSQLFLINLCPWFYYLPFGPFKELRQIERDITCFLKNIIKEHQESLDANNPQDFIDMYLLHTQEEKDKCKG...
0
15,036
80,291
UN
80,291
Q0DBF4
[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...
MESMLVAGAGAAAVAAVGGLVAAAALADKLVAAPPPRKNRANPPPAVPGLPIIGNLHQLKEKKPHQTFAKWSETYGPIYTIKTGASPVVVLNSTEVAKEAMIDKFSSISTRKLPKAMSVLTRKSMVAISDYGDYQKMAKRNIMIGMLGFNAQKQFRGTRERMISNVLSTLHKLVSLDPHSPLNFRDVYINELFSLSLIQSLGEDVSSVYVEEFGREISKDEIFDVLVHEMMMCAVEADWRDYFPYLSWLPNKSFDTIVSTTEFRRDAIMNALIKKQKERIARGEARASYIDFLLEAERSAQLTDDQLMLLLSESILAAAD...
0
15,037
75,727
UN
75,727
Q28035
CCCCC/C=C\C=C\CCCCCCCCC(=O)[O-].[H]O[H]>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-]
null
CCCCC/C=C\C=C\CCCCCCCCC(=O)O.O>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)O
MAGKPTLHYFNGRGRMECIRWLLAAAGVEFEEKFIEKPEDLDKLKNDGSLMFQQVPMVEIDGMKLVQTRAILNYIATKYNLYGKDMKERALIDMYSEGVADLGEMIMHFPLCPPAEKDAKLTLIREKTTNRYLPAFENVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDPSLLANFPLLKALKARVSNIPAVKKFLQPGSQRKPPTDEKKIEEARKVFKF
0
15,038
65,776
UN
65,776
Q9Y7Z9
CC1=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(Cl)=C(C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
Cc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MSSLVLRGVSRVEMPTISPTLGIYTRKFASQKILQRQFDVVIVGSGPVGLALAAGLQSNPVTQSLKVGLLDIQDTMKLKDWKFETYSNRCSSLTNHTRMFFDKIGAWDFARKDRIQPFQHILASDGLTNSSIHLDQKPGSEPMAFMSENVNLQYALLNSIIDKMNNNIKKPNLEFLMPCTITKLSKGENIYRTHIHTTTHGELTTKLLIGADGRNSIVRKYANISMPGWNYLTHAVVGTLKIDPLKGPAVAFQRFLPTGPLAYLPLPDNNATFVWSTRPHIASKLLRLPEETFVKFLNASFRLDYPDLSYLYQMDFSEPS...
0
15,039
76,583
UN
76,583
Q9HRF0
CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=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@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=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)[...
null
CC1(C)CC[C@@H](C(=O)O)N=C1C(=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>>CC1(C)CC[C@@H](C(=O)O)NC1C(=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
MRVVVQGPGSLGSLVGGVLAGGETAVTLLGHQSEHLTRVREDGLRVVQPDGTTRVTRPSVATDPSVVADADLVVVCVKSYDTASAARALGRQCDGAMVLTLQNGLGNAAVLAEHVPADTVLVGTTTHGAARTEPGVVRHAGGGETTIGRYRGANDARVASVAAAFSTGGMETTVTASPQRAVWEKVLVNVGINAATALADVDNGALVECPPGERVLERAVTEGVRVAEAEGVSVSESVVERARQVAARTASNESSMRQDLAGGARTEVESLHGAVVERARDHDIAVPVIRTLADLVRLAQRDG
0
15,040
81,367
UN
81,367
C4M633
[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
MQTSLFEFANVLITAVKEASYSISKFKEEVEIKYKSDGSEVTQVDTQSQQIIFSIIKNKYPTINIIGEEDVENGIPDNQLPTITQLSFGSLENKIININDIIIYVDPLDGTDCYTHKQYDSVCVLVGVTYKGKPMIGIVSKPFYNNEITFAIENYISSISLQPLNDKIIFVCSKKNDIQHLIKSFPDPYEVKYKGGSGAKMMAIIHQEADIYYHPLIQSCTWDTLAAQVILEAQGGIVCDIYGNPLCYPSSKKESMRHKKGVLCLSPRAKKYLPYMLSISKTILL
0
15,041
69,611
UN
69,611
B7MEM1
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
MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSSEYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG...
0
15,042
76,419
UN
76,419
P10632
CCCCCC1=C(CO)C(O)=CC=C1.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>>CCCC[C@H](O)C1=C(CO)C(O)=CC=C1.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+]
null
CCCCCc1cccc(O)c1CO.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>>CCCC[C@H](O)c1cccc(O)c1CO.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVT...
0
15,043
15,681
UN
15,681
Q8TZ45
[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
MKKLSLALVGAGGIGTTVLREIREGRLEGKVEPVLVCDRHPEKLKRIERWFPDCDTSTDLDDAMSAEADVLLEAASVEAAASLLPDALKRFDVIVMSVGALVLEEGLLSRCREVAEVTGHRLHVPSGAVGGLDVLRALRGRVREVTLTTIKPPKALNKDVSERTVLYEGSVRDAVRKFPKNINVAAAVSLAVGDPSLVTVRIVCDPEVSVNTHVIEVESSAGTYRFELRNEALPDNPKTSAVAAYSAVALIERMTEGIRVGT
0
15,044
76,767
UN
76,767
Q6VMW0
CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.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=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
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.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MALPNGISSKQELLEAQAHVWNHIYSYINSMSLKCAIQLGIPDAIHKHGNPITLSQLADALNINKAKSHGLFRLMRILVHSGFFDKVKVKVKVEGEDEEEEEDAYSLTPASRLLLRSEPLSVAPFALAMSDPVYTETWHHLSEWFRNDAVAAFDTKYGMTFPEYAVADDRLNVLFNEAMACDAGFVNSILTTECREIFDGLESMVDVGGGTGATAKGIAAAFPGMECTVLDLPNVVGGLKGSENLSFVSGDMFDFIPHADAIFMKFILHDWNDEECVKILKKCKEAISRSNNSCRKIILVEIVMEDEKETHEATETKLFF...
0
15,045
79,287
UN
79,287
C0QSH0
[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
MYYSIKLRASRDGKHLSGGERIVLKDKIEEAVNQLYRKAEPKDPDEINIKIESIKEKPLVIKSSLKIENIICEDYKSSNQIALEILKRSTGIPVERLKELIDLVHTGSAPDGSNMRGAMIVNQKGERIELDHFRGIRTTTVDFLDRDKILKKLVKKGYTERTVDALCLTTKNMLYPDMIAEYCISDEPDYITGYVSTKDFYYRITPLKSEGNPKGGRIYFVRNSIDLQDFYRFLQEKPVLIEDVGID
0
15,046
76,519
UN
76,519
B6I6N3
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.[H]O[H]>>*N[C@@H](CCCC[NH3+])C(*)=O.O=C([O-])CCCC[C@@H]1CCSS1
3.5.1.138
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.O>>*N[C@@H](CCCCN)C(*)=O.O=C(O)CCCC[C@@H]1CCSS1
MSTLRLLISDSYDPWFNLAVEECIFRQMPATQRVLFLWRNADTVVIGRAQNPWKECNTRRMEEDNVRLARRSSGGGAVFHDLGNTCFTFMAGKPEYDKTISTSIVLNALNALGVSAEASGRNDLVVKTAEGDRKVSGSAYRETKDRGFHHGTLLLNADLSRLANYLNPDKKKLAAKGITSVRSRVTNLTELLPGITHEQVCEAITKAFFAHYGERVEAEIISPDKTPDLPNFAETFARQSSWEWNFGQAPAFSHLLDERFSWGGVELHFDVEKGHITRAQVFTDSLNPAPLEALAGRLQGGLYRADMLQQECEALLVDFP...
0
15,047
64,872
UN
64,872
Q66FF5
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO>>[H]C(=O)CO.O=C(CO)COP(=O)([O-])[O-]
null
O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO>>O=C(CO)COP(=O)(O)O.O=CCO
MQAILSSWFIQGMIKATSDMWHKGWDERNGGNISLRLLAEEVEPYRRDFYQQPRKVELTQPAPELANSWFLVTGSGKFFRNVELNPAENLVLLQVSNDGMAYDIHWGLTQGGLPTSELAAHFQSHIVRMQVSGGTNRVIMHCHATNLIALSYVQKLENASFTRLLWEGSTECLVVFPDGIGIVPWMVPGTDGIGTQTAEQMREHSLVLWPFHGIFGSGPTLDDAFGLIDTAEKSAEIMVKVLSMGGKKQTISREQLIALAARFDVTPMAAALDA
0
15,048
78,491
UN
78,491
P9WNZ2
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@...
MAITDVDVFAHLTDADIENLAAELDAIRRDVEESRGERDARYIRRTIAAQRALEVSGRLLLAGSSRRLAWWTGALTLGVAKIIENMEIGHNVMHGQWDWMNDPEIHSSTWEWDMSGSSKHWRYTHNFVHHKYTNILGMDDDVGYGMLRVTRDQRWKRYNIFNVVWNTILAIGFEWGVALQHLEIGKIFKGRADREAAKTRLREFSAKAGRQVFKDYVAFPALTSLSPGATYRSTLTANVVANVIRNVWSNAVIFCGHFPDGAEKFTKTDMIGEPKGQWYLRQMLGSANFNAGPALRFMSGNLCHQIEHHLYPDLPSNRLH...
0
15,049
49,412
UN
49,412
Q866E8
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...
MWPLSHRHLCLAFLLVCVLSAISFFLHIHQDSIRHGLGLSVLCPDRHLVTPPVAIFCLPGTPMSPNTSSPCPQHPASLSGTWTIYPDGRFGNQMGQYATLLALAQLNGRRAFILPAMHATLAPVFRITLPVLAPEVDSRTPWQELRLHDWMSEEYADLGDPFLKLSGFPCSWTFFHHLREQIRSEFTLHDHLREEAQSVLRRLRLGRSGDRPRTFVGVHVRRGDYLQVMPQRWKGVVANSAYLREAMDWFRARHEAPVFVVTSNGMEWCRENIDTSKGDVMFAGDGQEASPWKDFALLTQCNHTIMTIGTFGFWAAYLAG...
0
15,050
65,816
UN
65,816
Q57694
[Co+2].[Co+2].[H]*[H].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+].[Co+].*.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+].[H+].[H+]
1.16.99.1
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Co+2].[Co+2]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O.[Co+].[Co+]
MDEKTIEKIKKEAEEIINKFSEVLEKFNLEMEESYYIIDTRNVLREDEAVESNPEFREKFLKIAPKVNKEGYVVVEKGSWLK
0
15,051
79,295
UN
79,295
Q6LWX9
[NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(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>>[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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+]
null
NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(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>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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
MFSLKMRASSNGNHVSGAERLVKEEQIEEISSELIKRAMNHENGVPDFINLKVEKVTENINYIEHLKIKTINSNSKETSREFAINILKKELENYFLKNGKDTKKIDELIDSAFKIIDAGNMRGAAILDLDGNRLEKSSDRGIRVRNIDTAEELSKKILKDGSLTERTVDAIAIATKVVNCDIIAELCTSDNFSYTTGYVATKDGYFRILNLKDSGQVGGRVFFAESSDIDELYDKLENMPVIVY
0
15,052
70,808
LR
70,807
J0MXJ0
O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-]
5.3.1.37
O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O
MKVLIGSDKSGFGLKEEVKAYLAGKGYEMTDCGTLDPEQPKPFFEAAPIAAQKIQSGEFERAILICGTGMGMAIVANKFEGVYAACCESTYAAEKCRAINDANILTMGGWIIAGILGCEMAETFLTTGFTENLEEWRQEFLKGAKQKVGAIEESIYRKG
1
15,053
80,851
UN
80,851
Q6YSY5
C[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[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>>C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
null
CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.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[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MPVLPWLAAAATTPVRRSPPLPATPRALLRLPASSFPPWSNCAKSGLPPRGPFATAADTPLGGSLPEPEEERDTLLDGALRAARFRDEESRRPDPLFIDPYAAVLLSLDVASEDKDLLALHLMPSAEHYRLVTRYIDDKLQHFISNSDDLRQIVLLTDGMDTRPYRLSWPRLSVVYDVSPRRVFITASQQLRGAGAKISRNCVVLHTSSESPDLQAGLNKNGFNGNRPSLWVLQGLPLFTFKSLEDLLLVIGNLAMKGSIFIGEVPRFTQWGAATDMASEQDRLENLFFTQGFRVSFVHYEEVAKDVGLGLDSPPEIHGR...
0
15,054
69,611
UN
69,611
O42783
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
MTSQPSSGKGRGRNLSIDEYNVYDDAKTYYTTEDRHHNHRAGARTRTYSQNSLFKQFERLGLQKEPYRRGSHDESTIPQSRRFLIQVEPTLQSLQSQEDTDGNMQITIEDNGPKVLSLRTAASNGYNRFDIRGTYMLSNLLQELYLAKEYGRKQIILDEARLNENPVNRLSRLIKDHFWEGLTRRIDASSIEIAARDPKDWTDDPRPRIYIPRGAPEQHEYYTKVALDRPELRLDVQYLPEKITPEIVRDMNAKPGLLAVDMEEVVDPKTGEKTLRGRPFVVPGGRFNELYGWDSYMESLGLLVNDRVDLAKSMVQNFCF...
0
15,055
51,636
UN
51,636
D3RNN8
O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*]
1.97.1.14
O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O
MQDPASHSDSLVGRVEVKETTCYMCACRCGIRVHLRDGEVRYIDGNPNHPLNKGVICAKGSSGIMKQYSPGRLTQPLRRKAGAERGESAFEVISWDEAFAMLEERLAKLRAEDPKKFALFTGRDQMQALTGLFAKQYGTPNYAAHGGFCSVNMAAGLIYTIGGSFWEFGGPDLERAKLFVMIGTAEDHHSNPLKMAISEFKRRGGRFISVNPVRTGYSAVADEWVPIKPGTDGALLLAITREILDKGLFDRDFLVRYTNAAELVIDDPSRDDHGLFYRAEMHVEPDCFDPQNKLWWDRDIDGPISTHTPGADPRLMGRYV...
0
15,056
76,995
UN
76,995
B0C7T2
[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.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.[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]...
1.18.1.2
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.[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>>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...
MKLAVYGKGGIGKSTTSCNISVALAKRGKKVLQIGCDPKHDSTFTLTGFLIPTIIDTLQEKDYHYEDVWPEDVIYKGFGGVDCVEAGGPPAGAGCGGYVVGETVKLLKELNAFDEYDVILFDVLGDVVCGGFAAPLNYADYCMIVTDNGFDALFAANRIAASVREKARTHPLRLAGLIGNRTSKRDLIDKYIDSVPMPVLEILPLIEDIRVSRVKGKTMFEMAESDPSLEPVCNYYLNIADQILAGPEGVVPEDAQDRELFALLSDFYLNPTQPKTEEEELDLMMV
0
15,057
78,419
UN
78,419
P93083
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
MGSIDSNYDTESAGQCRPLEPEEFRKQAHQMVDFIADYYKNIESYPVLSQVEPGYLQSRLPETAPYRPEPFESILKDVHKDIIPGVTHWLSPNFFAYFPATVSSAAFVGEMLCTCFNAVGFNWLASPAELELEMVVMDWLASMLKLPNSFTFLGTGGGVIQGTTSEAILCTLIAARDRALESIGVDSIHKLVVYGSDQTHSTYAKACNLAGILPCNIRSIRTEAVANFSLSPDSLHREIEADVAAGMVPLYLCATVGTTSTTAIDSLSPLADVANDYGLWFHVDAAYAGSACICPEFRHYLDGIERADSLSLSPHKWLLS...
0
15,058
79,847
UN
79,847
P36421
*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)...
null
*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c...
MSSAATVDPNEAFGLITKNLQEVLNPQIIKDVLEVQKRHLKLYWGTAPTGRPHCGYFVPMTKLADFLKAGCEVTVLLADLHAFLDNMKAPLEVVNYRAKYYELTIKAILRSINVPIEKLKFVVGSSYQLTPDYTMDIFRLSNIVSQNDAKRAGADVVKQVANPLLSGLIYPLMQALDEQFLDVDCQFGGVDQRKIFVLAEENLPSLGYKKRAHLMNPMVPGLAQGGKMSASDPNSKIDLLEEPKQVKKKINSAFCSPGNVEENGLLSFVQYVIAPIQELKFGTNHFEFFIDRPEKFGGPITYKSFEEMKLAFKEEKLSPP...
0
15,059
79,231
UN
79,231
A1DA62
[H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].[H+]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=CC=CC(=C43)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#C.O=P([O-])([O-])OP(=O)([O-])O
2.5.1.159
CC(C)=CCOP(=O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C>>C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C.O=P(O)(O)OP(=O)(O)O
MPPAPPDQKPCHLQPAPYRALSETILFGSLNEERWWHSTAPILSRLLISSNYDVDVQYKYLSLYRHLVLPALGPYPQRDPETGIIATQWRSGMVLTGLPIEFSNNVARALIRIGVDPVTADSGTAQDPFNTARPKGYLETAARLLPGVDLTRFYEFETELVITKEEEAVLQANPDLFKSPWKSQILTAMDLQKSGTVLVKAYFYPQPKSAVTGRSTEELLVNAIRKVDRESRFETQLANLERYMERRRRGLHVPVVTADKPPPTEADKTFDACSFFPHFLSTDLVEPGKSRVKFYASERHVNLKMVEDIWTFGGLRRDPD...
0
15,060
80,879
UN
80,879
P40017
[H][C@]1(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])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-]>>[H][C@]1(CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@@]2([H])C(C)(C)[C@@]([H])(OC(C)=O)CC[C@]12C.CC(C)(COP...
null
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/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]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/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)nc...
MSSGSTIVSSDKSGRTFKHEEELPKLPLPKLCDTLQRLKESLEPLYYADGYYQHPLDPEQIEKLSSIIRDFEENPVSEKLQSKLQSYHDTRDCYLDELHLDINNQTSTREIQDDVLPRNPFLVLADDALPNITQADRSAVLVHSAARFISALKQDLLPPDINATNGKPLSMAPFLNLFGTTRSPVFQRGEVENFDLNKPYTASDLEDPDYSSDEDDNDEPTQKDFDDRKRKHEEDIFTGNGITIKRHPDSKHILIISRGQYYTLEVLDSTNKIIYTAAELTTIFNHIIKDSSGIEKSTALGSLTSHSFRNWKYARKRLQK...
0
15,061
79,063
UN
79,063
A2BTH3
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.*.*>>CCC1=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)=C4CC)N3)N2)NC1=O.[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>>CCC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MLIQDTIFYRPDWRWHNFLKYLTNNLSKYNCLEKTIPSEYSYKDSTYGSKKSKKNVNLSTWGVTHKKRIKFARAVCINSPNYSVLNFLIIPNTIYNVPFFGVDFVSLPNSYLLVLDFQPSLKIQNQYNNDLLEKLIKLKNHCHSSLPLAEKMSADVARFFSPGVIWSKLPKEERSDFLITNQLYTSFKEYLDLYLEILFESKEVNIELQKELTNGQINYLNYRRDNDPARPMLSSLFGQEFTESLIEEVLFTT
0
15,062
65,796
UN
65,796
P9WJ92
CN(C)C(=O)NC1=CC=CC=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=CC=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CN(C)C(=O)Nc1ccccc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccccc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MTEAIGDEPLGDHVLELQIAEVVDETDEARSLVFAVPDGSDDPEIPPRRLRYAPGQFLTLRVPSERTGSVARCYSLCSSPYTDDALAVTVKRTADGYASNWLCDHAQVGMRIHVLAPSGNFVPTTLDADFLLLAAGSGITPIMSICKSALAEGGGQVTLLYANRDDRSVIFGDALRELAAKYPDRLTVLHWLESLQGLPSASALAKLVAPYTDRPVFICGPGPFMQAARDALAALKVPAQQVHIEVFKSLESDPFAAVKVDDSGDEAPATAVVELDGQTHTVSWPRTAKLLDVLLAAGLDAPFSCREGHCGACACTLRAG...
0
15,063
80,499
UN
80,499
Q49Y42
[H][C@@]1(C(=O)[O-])CC[NH2+]1.[H]O[H]>>[NH3+]CCC(O)C(=O)[O-]
null
O.O=C(O)[C@@H]1CCN1>>NCCC(O)C(=O)O
MKVDLNCDLGEAFGNYSFGGDNQIIPLITSANIACGFHAGDQHVMNDTIKLAKDNGIGIGAHPGLPDLQGFGRRNMDLSPEEVYDIVVYQLGALNGFCRIHDVKINHVKPHGALYQMGARDKVIAHAIAKAVYDFDPTLIYVGLSNTLLISEAQALGLSTASEVFADRRYEDDGQLVSRKEADALITNTDEAIKQVINMVKFQKVITKNNNTIDIKADTICVHGDGAHAIEFVTQIREQLTKEGISITRLGG
0
15,064
51,636
UN
51,636
Q2FI18
O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*]
1.97.1.14
O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O
MNFPWDQLLVKGNWMITMAQIGAPFLVIGLIAVITYFKLWKYLYKEWFTSVDHKKIGIMYLICAVLMFVRGGIDALLIRAQLTVPDNKFLESNHYNEIFSTHGVIMIIFMAMPFIFGLWNIVVPLQIGARDVAFPVLNNVSFWLFFAGMILFNLSFIIGGSPAAGWTNYAPLAGEFSPGPGVNYYLIAIQISGLGTLATGINFFVTILRCKTPTMKFMQMPMFTVTTFITTLIVILAFPPLTVALALMTTDRIFDTAFFTVAHGGMPMLWANFFWVWGHPEVYIVILPAFGIYSEIIPTFARKRLFGHQSMVWATAGIAF...
0
15,065
13,961
UN
13,961
A8G3Q8
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)...
MTSTINKPLDGEGSVQVKQDPKINIEEGALVIAVYGKGGIGKSTTSSNLSAAFSKLGKKVLQIGCDPKHDSTFTLTHKMVPTVIDILEEVDFHSEELRPNDFMFEGFNGVMCVESGGPPAGTGCGGYVTGQTVKLLKEHHLLEDTDVVIFDVLGDVVCGGFAAPLQHANYCLIVTANDFDSIFAMNRIVSAIKAKAKNYKVRLGGVVANRSKDTDQIDKFNERTGLKTMAHFKDVDAIRRSRLKKCTIFEMEPTEDVIEVQNEYLSLAKNMLENVEPLEGNPLKDREIFDLLGFD
0
15,066
77,883
UN
77,883
P48706
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H]>>O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO.O=P([O-])([O-])O
3.1.3.109
O.O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO.O=P(O)(O)O
MSPQTETKASVGFKAGVKDYKLTYYTPEYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYGIEPVPGEENQYIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPTAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIFKSQAETGEIKGHYLNATAGTCEEMMKRAIFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGIHFRVLAKALRM...
0
15,067
78,787
UN
78,787
P16166
O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2.O=C1C=CN([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=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=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O...
null
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1ccn([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=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=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
MAPADGESSPPPHVAVVAFPFSSHAAVLLSIARALAAAAAPSGATLSFLSTASSLAQLRKASSASAGHGLPGNLRFVEVPDGAPAAEETVPVPRQMQLFMEAAEAGGVKAWLEAARAAAGGARVTCVVGDAFVWPAADAAASAGAPWVPVWTAASCALLAHIRTDALREDVGDQAANRVDGLLISHPGLASYRVRDLPDGVVSGDFNYVINLLVHRMGQCLPRSAAAVALNTFPGLDPPDVTAALAEILPNCVPFGPYHLLLAEDDADTAAPADPHGCLAWLGRQPARGVAYVSFGTVACPRPDELRELAAGLEDSGAPF...
0
15,068
79,535
UN
79,535
A7ZUI2
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=C1.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>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O...
null
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.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1>>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...
MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLAS...
0
15,069
77,755
UN
77,755
P31660
C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+]>>C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H]O[H].[H]O[H]
null
C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)C(=O)O>>C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.O.O
MSDTTILQNSTHVIKPKKSVALSGVPAGNTALCTVGKSGNDLHYRGYDILDLAKHCEFEEVAHLLIHGKLPTRDELAAYKTKLKALRGLPANVRTVLEALPAASHPMDVMRTGVSALGCTLPEKEGHTVSGARDIADKLLASLSSILLYWYHYSHNGERIQPETDDDSIGGHFLHLLHGEKPSQSWEKAMHISLVLYAEHEFNASTFTSRVIAGTGSDMYSAIIGAIGALRGPKHGGANEVSLEIQQRYETPDEAEADIRKRVENKEVVIGFGHPVYTIADPRHQVIKRVAKQLSQEGGSLKMYNIADRLETVMWESKKM...
0
15,070
56,352
UN
56,352
O18963
[Br-].O=C([O-])C1=CC=C(O)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.[H+].[H+]>>O=C([O-])C1=CC(Br)=C(O)C=C1.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)([...
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)c1ccc(O)cc1.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)c1ccc(O)c(Br)c1
MAALGITVALLVWMATLLFISIWKHIYSSWKLPPGPFPLPIIGNLLQLDIKNIPKSFTRLAERYGPVFTLYLGSQRAVVVHGYKPVKEVLLDYKNEFSGRGENPGFQMHKNNGIIFNNGSTWRDTRRFSLTTLRDLGMGKQGNEQRIQREAHFLLEVLRKTQGQPFDPTFVVGFAPYNVISDILFHKRFDYKDQTSLRLMSLFNENFYLLSSPWIQLYNNFPDYLQYLPGSHRKLLKNVSEVKSYALERVKDHQKSLEPSCPRGFLDTMLIEMAKERHSVDPMYTLENIAVTVADLLFAGTETTSTTLRYGLLILMKYPE...
0
15,071
64,856
UN
64,856
P53610
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.222
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O
MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL...
0
15,072
56,372
UN
56,372
P0CO49
O=C([O-])C1=CC(O)=C(O)C=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+]>>O=C([O-])C1=CC(Br)=C(O)C(O)=C1.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...
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)c1ccc(O)c(O)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)c1cc(O)c(O)c(Br)c1
MSQSRARKVLIVGAGPVGALTALSLHRRGWEVEVWETRDDPRGQDAAPSNLRSINLAISSRGLEALRSVDPSIAENFLEEAIPMKGRMIHHTDGKQESQLYDPIGGQSINSISRPILNQRLVQSLPEAVKLRFNTKLKHIDFKNRVAYASHKQETSLLPGEESEKDKKQNTEDEDGTAFDLVIGCDGSWSKVRTAMMRAERIDFSQSFIPHAYIELHMPSDPASPGGYAMDKNHLHIWPRHAFMLIGLPNKDGSFTLTLFIPFSSLELLDTRESAAAFFREHFPSAVDIVGEKVLLDDFEKNPRGNLVTINCTPSAWSSH...
0
15,073
70,779
UN
70,779
Q5FPE5
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@...
MPAPYKDRFAGKKVLVTGASQGIGEATALRFAEEGAQVALNGRKEDKLIAVREKLPKVSGGEHPIATGDISKEDDVKRLVAESIKAMGGLDVLVCNAGYQIPSPSEDIKLEDFEGVMAVNVTGVMLPCREVIRYWLENGIKGTIIVNSSVHQIIPKPHYLGYSASKGAVGNIVRTLALEYATRGIRVNAVAPGAIVTPINMSWIDDPEQYKAVSSHIPMKRPGESREIADAITFLAAEDSTYITGQTLYVDGGLTLYGDFENNWSS
0
15,074
78,983
UN
78,983
A0A1V0QSF1
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@H](C)[C@@]13CCC(C)=C3C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.224
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2C[C@@]3(C)CCC(C)(C)[C@H]3[C@@H]3CC[C@H](C)[C@]23CC1.O=P(O)(O)OP(=O)(O)O
MSVFAPIARELDIFFGFSWRDWSTTIIPGSIFAVGAMRDLPPATLVKNYLFLVTWLTPYIYFFNLSNQITGVDEDKINKPDRPIPSGKVTLQGAQRRWIAAFSTFLGIALYQPEFLPETLCWIATVAFLCLTSYGDHWFGKNCVAMTTGTWALLSASWKAIAPATPTSDAWVYAVSVWAGLITHIQDLRDMEGDKAVGRKTLPLVFGDMGSRLIITFFALPAACWVLSLAGIFQLAPVTLGALHAILGYRVLRQGGPRYDHKTYMFYTYIFCLILAFCALDGLGLKINAESLRALLATTGVSLKEL
0
15,075
79,039
UN
79,039
B0KM58
CSC1=NC(/C=C/C(=O)[O-])=CN1.[H]O[H]>>CSC1=NC(CCC(=O)[O-])=C(O)N1
null
CSc1nc(/C=C/C(=O)O)c[nH]1.O>>CSc1nc(CCC(=O)O)c(O)[nH]1
MTDNNKYRDVEIRAPRGNKLTAKSWLTEAPLRMLMNNLDPQVAENPKELVVYGGIGRAARNWECYDKIVETLTRLEDDETLLVQSGKPVGVFKTHSNAPRVLIANSNLVPHWANWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYGGSLKGKWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLETRYVDEQATDLDDALARIAKYTAEGKAISIALHGNAAEILPELVKRGVRPDMVTDQTSAHDPLNGYLPAGWTWEQYRDRAQTEPAAVVKAAKQSMAVHVQAMLDFQKQGIPT...
0
15,076
82,203
UN
82,203
Q5EA87
CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([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>>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C...
null
CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O.O=c1ccn([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>>CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[...
MLRRLLERPCTLALLVGSQLAVMMYLSLGGFRSLSALFGREQEPAFDYSHPHDVYSNLSHMPGAPVAPGGLPAPQGLPYCPKRSPLLVGPISVSFSPVPSLAEIVERNPRVEPGGRYRPARCEPRSRTAIIVPHRAREHHLRLLLYHLHPFLQRQQLAYGIYVIHQAGNGTFNRAKLLNVGVREALRDEEWDCLFLHDVDLLPENDHNLYVCDPRGPRHVAVAMNKFGYSLPYPQYFGGVSALTPDQYLKMNGFPNEYWGWGGEDDDIATRVRLAGMKISRPPTSVGHYKMVKHRGDKGNEENPHRFDLLVRTQNSWTQD...
0
15,077
70,807
UN
70,807
B2THU3
O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-]
5.3.1.37
O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O
MKVDVVISADYISDDIVKDKVVVVIDMFRATSVITTAINNGCQKIIPYLTVEETLEEAKKYDNNEVILGGERRAVKIEGFDLSNSPLEYTEEVVKNKTVLMTTTNGTRALTKCLLGKKIIIAAMINAEAVAKKLLEFNDDIVIVNAGTNGEFSMDDYICGGYIINTMLKEKSNIELTDIAKTSNMIYESNKDIINYVKEARHYSVMRSLKLDNDIEYCIKKSIIDVVPIYDGDKIIKL
0
15,078
50,340
UN
50,340
P05108
[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
MLAKGLPPRSVLVKGCQTFLSAPREGLGRLRVPTGEGAGISTRSPRPFNEIPSPGDNGWLNLYHFWRETGTHKVHLHHVQNFQKYGPIYREKLGNVESVYVIDPEDVALLFKSEGPNPERFLIPPWVAYHQYYQRPIGVLLKKSAAWKKDRVALNQEVMAPEATKNFLPLLDAVSRDFVSVLHRRIKKAGSGNYSGDISDDLFRFAFESITNVIFGERQGMLEEVVNPEAQRFIDAIYQMFHTSVPMLNLPPDLFRLFRTKTWKDHVAAWDVIFSKADIYTQNFYWELRQKGSVHHDYRGILYRLLGDSKMSFEDIKANV...
0
15,079
65,772
UN
65,772
A0R525
CC(C)C1=CC=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(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MTDEPLGSHVLELQVAEVVEETSDARSLVFTVPEGAEIAADRLRYSPGQFLTLRVPSDRTGSVARCYSLSSSPTTDDRLTVTVKRTADGYASNWLCDNAHAGMRIHVLAPSGTFVPKDLDTDFLLLAAGSGITPMMAICKSALAEGTGNVVLIYANRDENSVIFAGALRELAAKYPDRLTVVHWLETVQGLPTAAGLGALAKPFAGREAFICGPGPFMTAAEDALRAAGTPDDHIHIEVFKSLESDPFAAVVIPEDDGDDQGPATAVVTLDGTTHEIRWPRSAKLLDVLLDKGLDAPFSCREGHCGACAVLKKSGEVHME...
0
15,080
79,283
UN
79,283
O67575
[NH3+]CCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCN(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>>[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-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+]
null
NCCCCN(O)C(=O)CCC(=O)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>>NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=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
MDLFSVRMRAQKNGKHVSGAERIVKKEELETAVKELLNRPKEFDFMNVKVEKVKDFEVVKFNLKISTYSFKSPEEAREFAVKKLTQEGIKEEVAKKAVEILSKGANPKGGNMRGAVLMDIETGERLEEDKERGVRTIHFDWKDRKKVTEKLLKEGYTLRTVDALALTFKNLFCGVVAELCWSDDPDYVTGYVSGKEIGYVRITPLKEKGDPLGGRVYFVSRKELSEIIECLTQKVVLIEL
0
15,081
64,856
UN
64,856
Q9LHL5
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.222
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O
MADKLVAGKHLRYILNLMAEKKKESFESVVMDHLRMNGAYWGLTTLALLDKLGSVSEDEVVSWVMTCQHESGGFAGNTGHDPHVLYTLSAVQILALFDKLNILDVEKVSNYIAGLQNEDGSFSGDIWGEVDTRFSYIAICCLSILKCLDKINVKKAVDYIVSCKNLDGGFGCSPGAESHAGQIFCCVGALAITGNLHRVDKDLLGWWLCERQDYESGGLNGRPEKLPDVCYSWWVLSSLIMIDRVHWIEKAKLVKFILDSQDMDNGGISDRPSYTVDIFHTYFGVAGLSLLEYPGVKTIDPAYALPVHVINRILFTK
0
15,082
64,856
UN
64,856
A0A1L6Z3A0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.222
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O
MSRFTSATHGLNLSIKMPISVSQVPSIRSNTSKYELQKLRSTGRSVLQTRRQLAIINMTKRSEADDNDGVERRKGVFHPNLWDDGFIQSLSTVYHEQASYRERAERLIGEVKAVFDSISMGDGDQFISPSAYDTAWVARVPAIDGSSRPQFPQAIDWILLNQQQDGSWGSQSHLSLTHRLTDTLACVIALASWKIESVQIDEGLDFITRGVEKLQSESVPAEFEIIFAELLNQAKSLQLSLPYEHSCLQSLWRKQEPILANGLMDSVAKRSLSSLEEMQDHRMNTDSDGTMHVESFLSSPAVAARVLMRTGNPICLAYLN...
0
15,083
65,824
UN
65,824
P22337
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MALKLNPFLSQTQKLPSFALPPMASTRSPKFYMASTLKSGSKEVENLKKPFMPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQDFLPDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARQAKEHGDIKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFDHFSAVAQ...
0
15,084
80,307
UN
80,307
A0A125SXN2
[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)[C@@H](O)CC[C@]21C.*>>[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)C(=O)CC[C@]21C.[H]*[H]
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)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C>>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)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C
MWRLRTGSSTVDKADSWLSSLNNHLGRQIWCYDPEAGTPQEREAVEAECARFTANRHQQRQSADTLLRLQFQKEHSANRLPSRITVNEDHEVTEDDVTTTLCRALQFYSQLQTDDGHWSGDHSGPMFFLPGMVIALYVTGALDSVLSEHHQREICRYIYNHQRQDGSWGLHPEGTGTLFGTVLSYVTLRLMGESKSNSNNREALRKAQTWIIDHGGATDVPSWGKFWLAVLGVYEWSGVNPLPPESWLLPKSLIAHPGRLPVLYRFIFLPMSYIYARRLSHHLTKIIEDLRKELYTIPYEDIDWNHARKLGAKEEIVPRS...
0
15,085
75,255
UN
75,255
Q70FC9
[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
MVSVFLSSLLLSVATAQVYSPAQQIDVQSSLLSDPNKVAGKTYDYIIAGGGLTGLTVAAKLSENPKIKVLVIEKGFYESNDGAIIEDANAYGQIFGTTVDQNYLTVPLINNRTSSIKSGKGLGGSTLINGDSWTRPDKVQIDSWEKVFGMEGWNWDTMFEYMKKAELARAPTDAQIAAGHYFNATCHGFNGTIHSGPRDNGQPWSPIMKALMNTTSALGIPTQQDFLCGHPRGVSMIYNNLDENQVRADAGRAWVLPNYQRPNLKIMTGQTVGKVLFNQTASGPKAVGVNFGTNKAVNFDVYAKHEVLLAAGSAISPLIL...
0
15,086
78,523
UN
78,523
Q8TBE9
[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
MGLSRVRAVFFDLDNTLIDTAGASRRGMLEVIKLLQSKYHYKEEAEIICDKVQVKLSKECFHPYNTCITDLRTSHWEEAIQETKGGAANRKLAEECYFLWKSTRLQHMTLAEDVKAMLTELRKEVRLLLLTNGDRQTQREKIEACACQSYFDAVVVGGEQREEKPAPSIFYYCCNLLGVQPGDCVMVGDTLETDIQGGLNAGLKATVWINKNGIVPLKSSPVPHYMVSSVLELPALLQSIDCKVSMST
0
15,087
78,811
UN
78,811
D4AU57
NC(=[NH2+])NCCCC[NH2+]CC[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](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>[H]C(=O)C[C@H]([NH3+])C(=O)[O-].NC(=[NH2+])NCCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@...
1.5.1.55
N=C(N)NCCCCNCC[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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>N=C(N)NCCCCN.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.N[C@@H](CC=O)C(=O)O
MNGTSTTGNGFTNGTNYPVPKLELQPETTSTSPTRAQTHPLLPSVSDDELHDLICVGFGPASLAIAIALHDRLLETAHSPDITTVPKICFLEKQSNFAWHSGMLLPGSKMQISFIKDLATIRNPRSEFTFLNYLQVHDRLLDFANLGTFLPARIEFEDYMKWCASKFANLVRYRTEVLDVTPSEVDPVTGKVHFFTVRSKVLETGEVTTRKARHVVVAIGGKPNIPAEFPTNSRIIHSSAYCTTLPSLLNNTLKEYSIAVAGSGQSAAEIFHDLQKRYPNAKTSLIMRDSALRPSDDSPFPSVNELFNPERVDQFFNQSE...
0
15,088
77,183
UN
77,183
B2JJJ7
O=C[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.C[C@@H](O)[C@H]([NH3+])C(=O)[O-]>>[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.[H]C(C)=O
null
C[C@@H](O)[C@H](N)C(=O)O.O=C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O>>CC=O.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
MVSIRLPDGSVRQYEHPVTVAEVAASIGPGLAKAALGGKIDGELVDTSALIDHDVALAIVTDKDADGLDIIRHSTAHLLAYAVKDLFPEAQVTIGPVIDNGFYYDFSYSRPFTPEDLEKIEKRMQELAKKDEPVSRRVVSRDEAADYFKSIGEKYKAEIIESIPASDDIKLYSHGGFTDLCRGPHVPSTGKLKVFKLMKVAGAYWRGDSKNEQLQRIYGTAWTKKEDQDAYLHMLEEAEKRDHRKLGKQLDLFHMQDESPGMVFWHPRGWTLWQQVEQYMRRRVNEAGYLEIKTPMIMDRSLWEASGHWQNYRDNMFTTE...
0
15,089
79,687
UN
79,687
M2U578
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O
MEQLSYQSKLICSDESRHTGCFTTLPIRIHPRDDLADAASRRFVQDWAREMRDGREQSTHFSFSPVGNWSSLIYPEAIPERLGVLAYLSDLGLIHDDGGEGLSIEDAQAEHGELCAALDPSDISSAAPGSRAMKTKKLVSQCMLECISLDRELGLKMLAAFRDVWLAISERNSDKEAQTMEEYLKYRSDNGGMLVFWPMLQFSLGMSISEAEEALVQPIIDAATEGLLLANDYFSWEREYRELQSGQSKRIVSAVDLFIRTKGLSIDDAKEEVKRKIIAAERDFCQRRDDLYTNHPNIPLKLKRWIDCAGLAVSGNHYWC...
0
15,090
79,267
UN
79,267
P94405
O=S(=O)([O-])OC1=CC=C2C=CC=CC2=C1.OC1=CC=CC=C1>>O=S(=O)([O-])OC1=CC=CC=C1.OC1=CC2=CC=CC=C2C=C1
null
O=S(=O)(O)Oc1ccc2ccccc2c1.Oc1ccccc1>>O=S(=O)(O)Oc1ccccc1.Oc1ccc2ccccc2c1
MAYQDFREFLAALEKEGQLLTVNEEVKPEPDLGASARAASNLGDKSPALLFNNIYGYHNARIAMNVIGSWPNHAMMLGMPKDTPVKEQFFEFAKRYDQFPMPVKREETAPFHENEITEDINLFDILPLFRINQGDGGYYLDKACVISRDLEDPDNFGKQNVGIYRMQVKGKDRLGIQPVPQHDIAIHLRQAEERGINLPVTIALGCEPVITTAASTPLLYDQSEYEMAGAIQGEPYRIVKSKLSDLDVPWGAEVVLEGEIIAGEREYEGPFGEFTGHYSGGRSMPIIKIKRVYHRNNPIFEHLYLGMPWTECDYMIGINT...
0
15,091
80,651
UN
80,651
O33040
[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
MQRVHAFGDDALGDLDAVGLADAIRAGWVSRADVIEAAIVRTEAVNPALGGLAYEAFQWARQTASKAGSGFFSGVPTFIKDNIDVAGQPTMRGSDAWVPRNAFDDGEFTRLYLATGPVSLGKTQLSEFGFSASAEHMRLGPVRNPWDTDYTAGASSSGSGAFVAAGVVPMAHANDGGGSIRIPASCNGLVGLKPSRGRLPLDSELRRLPVGIVVNGVLTRSVRDTAAFYREAERIWHNPKLPPVGDVTQPGRQRLRIAVVTRSVQRECSPELRELTLKSARLLEELGHRVERVAEPPVPPNFPDDFLLYWGLLAAMQVRT...
0
15,092
65,784
UN
65,784
S5RR11
CN(C)C(=O)NC1=CC=C(Cl)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CN(C)C(=O)Nc1ccc(Cl)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MFRYDQVAHLTDQAYIDDLCDRVEQGLDQGLLPSHVFRDERVFKVEMDRIFTRAWVFVAHETEIPKSGDFVLRKVGLDQVIVTRSAGGAINVLLNHCRHRGTEVCHEDSGNTTHFKCPYHGWIYKNDGDFVGAPAMREAYGGRLDSKKNGLLRAPQVESYHGFIFTCLSESGPSLSEYLGDVSWMLDAIVKLHPAGLKVLGAPERFIIRTDWKIGAENFAGDVYHIATAHLSVNETKYISQDMRDTLKTGGGYRFQNGHGFITHRSSEMVGAEGGLWAYGLNPEIRKQFDLEGFDDAQKKMLLEAPPVAGNIFPNFSYLR...
1
15,093
79,255
UN
79,255
I7LRH3
C[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=CC(O)=C2C(=O)O1.[H]O[H]>>C[C@H](O)CCCC(=O)CCC/C=C/C1=C(C(=O)[O-])C(O)=CC(O)=C1.[H+]
null
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1.O>>C[C@H](O)CCCC(=O)CCC/C=C/c1cc(O)cc(O)c1C(=O)O
MKSLSLTWITAVAVVLYLVQRYVRSYWRLKDIPGPVLAKLTDLQRVWWVKTGRAHEFHRDMHAMYGPIVRFGPNMVSVSDPRVIPTIYPSRPGFPKGDFYRTQKPYTRNKGAMPAVFNTQDEDLHKQLRSPIASLYSMTNVVRLEPLVDETLTVLSKQLDERFVGTNDKPFDLGDWLQYFAFDSMGTLTFSRRYGFLEQGRDMHGILQEIWNFMTRVAVMGQIPWFDEIWNKNSFITLFKRPTGFGVLKVVDNFISQRVSSRENDEKADEKDMLSQFLDIQASNPHSIMPWAPRAWTFSNVMAGSDSTANVMRTMMYNLL...
0
15,094
78,659
UN
78,659
Q8HYN0
[H][C@@]12CC[C@@H](C(=O)[O-])[C@@]13C=CC[C@@]3(C)CC2(C)C.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@H]3C(=O)OC4C(=O)C[C@@](C)(CC1(C)C)[C@@]432.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(...
null
CC1(C)C[C@]2(C)CC=C[C@@]23[C@H](C(=O)O)CC[C@@H]13.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)C[C@]2(C)CC(=O)C3OC(=O)[C@@H]4CC[C@@H]1[C@]342.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)...
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQVTTLDILSNNRKGIAFADYGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQTIDISFPVFVAITNVISLICFNISYKNGDPELKIVHNYNEGIIDSLGKESLVDLFPWLKVFPNKTLEKLKRHVKTRNDLLTKIFENYKEKFRSDSITNMLDVLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWIVAFLLH...
0