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IdA
int64
0
37.7k
IdB
int64
37.7k
77.3k
SeqA
stringlengths
19
2.32k
SeqB
stringlengths
2
5.16k
pass
bool
2 classes
confidence
float64
1
2
label
int64
1
1
36,312
66,508
[O] [=P] [Branch1] [C] [O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@] [Branch1] [C] [O] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [=N] [O]
MSRLERLTSLNVVAGSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVDDKTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAIAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV
false
1
1
33,596
66,508
[O] [=C] [Branch1] [C] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O]
MSRLERLTSLNVVAGSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVDDKTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAIAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV
false
1
1
32,571
73,326
[O] [=C] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [O]
SKSHSEAGSAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP
false
1
1
30,176
73,326
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring1] [O] [C] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring1] [Ring2] [O]
SKSHSEAGSAFIQTQQLHAAMADTFLEHMCRLDIDSAPITARNTGIICTIGPASRSVETLKEMIKSGMNVARMNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVDVGSKVYVDDGLISLQVKQKGPDFLVTEVENGGFLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKAADVHEVRKILGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMIIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELARSSSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNHQTARQAHLYRGIFPVVCKDPVQEAWAEDVDLRVNLAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP
false
1
1
4,244
42,574
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring1] [#Branch2] [O]
EPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKECKHFALTHYAAQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDSNALIKIKYGEAYTDTYHSYANNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEIFPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTPRPDDGSITGPCESNGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMGMELYVRYDGDPWTDSDALAHSGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKKTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
false
1
1
9,562
75,893
[C] [C] [=N] [C] [=C] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [=O] [=C] [Ring1] [=C] [O]
TTKKADYIWFNGEMVRWEDAKVHVMSHALHYGTSVFEGIRCYDSHKGPVVFRHREHMQRLHDSAKIYRFPVSQSIDELMEACRDVIRKNNLTSAYIRPLIFVGDVGMGVNPPAGYSTDVIIAAFPWGAYLGAEALEQGIDAMVSSWNRAAPNTIPTAAKAGGNYLSSLLVGSEARRHGYQEGIALDVNGYISEGAGENLFEVKDGVLFTPPFTSSALPGITRDAIIKLAKELGIEVREQVLSRESLYLADEVFMSGTAAEITPVRSVDGIQVGEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDQVNQ
false
1
1
35,175
57,627
[O] [=C] [C] [=C] [N] [Branch2] [Ring1] [Branch2] [C@@H1] [O] [C@H1] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring1] [N] [O] [C] [=Branch1] [C] [=O] [N] [Ring2] [Ring1] [Ring2]
MGRGKVKPNRKSTGDNSNVVTMIRAGSYPKVNPTPTWVRAIPFEVSVQSGIAFKVPVGSLFSANFRTDSFTSVTVMSVRAWTQLTPPVNEYSFVRLKPLFKTGDSTEEFEGRASNINTRASVGYRIPTNLRQNTVAADNVCEVRSNCRQVALVISCCFN
false
1
1
821
76,427
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
true
2
1
25,921
42,574
[H] [/N] [=C] [Branch1] [C] [\N] [N] [C@H1] [C] [=C] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [O] [C@@H1] [Branch1] [O] [C@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C] [O] [C@@H1] [Ring1] [#C] [N] [C] [Branch1] [C] [C] [=O]
EPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKECKHFALTHYAAQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDSNALIKIKYGEAYTDTYHSYANNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEIFPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTPRPDDGSITGPCESNGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMGMELYVRYDGDPWTDSDALAHSGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKKTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
false
1
1
821
76,422
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTHFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
false
1
1
821
76,375
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
VLSAADKTNVKGVFSKISGHAEEYGAETLERMFTAYPQTKTYFPHFDLQHGSAQIKAHGKKVVAALVEAVNHIDDIAGALSKLSDLHAQKLRVDPVNFKFLGHCFLVVVAIHHPSALTAEVHASLDKFLCAVGTVLTAKYR
false
1
1
35,413
50,737
[O] [=C] [C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C@H1] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [Br] [Br] [B] [Branch1] [C] [O] [O]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
821
76,243
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
true
2
1
25,788
50,769
[H] [/N] [=C] [Branch1] [C] [\N] [C] [=C] [C] [=C] [Branch1] [O] [C] [C@H1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [O] [C] [=C] [Ring1] [N]
IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKK
false
1
1
18,036
73,044
[C] [C] [N] [C@H1] [C] [N] [Branch1] [=Branch1] [C] [C] [O] [C] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [C] [=C] [Ring1] [=N] [C] [=C] [Branch1] [=Branch2] [S] [Branch1] [C] [N] [=Branch1] [C] [=O] [=O] [S] [Ring1] [=Branch2]
SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
false
1
1
821
76,259
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
VHWSAEEKQLITGLWGKVNVADCGAEALARLLIVYPWTQRFFSSFGNLSSPTAILGNPMVRAHGKKVLTSFGDAVKNLDNIKNTFAQLSELHCDKLHVDPENFRLLGDILIIVLAAHFAKEFTPDCQAAWQKLVRVVAHALARKYH
false
1
1
30,805
55,060
[N] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [N] [C] [C] [=O]
MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTSDTQGDEAEAGEGGEN
false
1
1
15,767
50,737
[C] [C] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C@H1] [Ring1] [Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [C] [S] [C] [=Branch1] [C] [=N] [N] [B] [Branch1] [C] [O] [O]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
31,163
50,737
[N] [C] [C] [C] [C] [C@H1] [Branch2] [Ring2] [Branch1] [N] [C] [=Branch1] [C] [=O] [C@@H1] [C] [C] [N] [C] [C] [C@@] [Branch1] [C] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [Ring2] [Ring1] [C] [Ring1] [#C] [C@H1] [Branch1] [C] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C] [C] [Ring1] [=Branch1]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
8,898
40,014
[C] [C] [=C] [N] [Branch2] [Ring1] [#C] [C@H1] [C] [C@H1] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [O] [Ring1] [S] [C] [=Branch1] [C] [=O] [N] [C] [Ring2] [Ring1] [#Branch1] [=O]
ATSTKKLHKEPATLIKAIDGDTCKLMYKGQPMTFRLLLVDTPETKHPKKGVEKYGPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVNEALVRQGLAKVAYVYKPNNTHEQHLRKSEAQAKKEKLNIWSEDNADSGQ
false
1
1
12,635
55,060
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Branch1] [Ring2] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C] [C] [=C] [N] [=C] [C] [C] [=C] [C] [=C] [Ring1] [=Branch2] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [Ring1] [C] [=O] [C] [C] [C] [=Branch1] [C] [=O] [O]
MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTSDTQGDEAEAGEGGEN
false
1
1
12,634
55,060
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Branch1] [Ring2] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [Branch1] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C] [C] [=C] [C] [=C] [C] [=C] [C] [Ring1] [=Branch1] [=N] [C] [Ring1] [=Branch2] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [Ring1] [C] [=O] [C] [C] [C] [=Branch1] [C] [=O] [O]
MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTSDTQGDEAEAGEGGEN
false
1
1
19,186
40,952
[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [Ring1] [Branch1].[O] [=C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [Ring1] [Branch1].[Fe+10]
DIVLTQAAFSNPVTLGASASISCRSSKSLLNSNGIIHMYWYLQKPGQSPQLLIYQMSKLASGAPDRFSGSGSGTDFTLRISRVEAEDVGVYYCAQNLELPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDTKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN
false
1
1
19,186
43,022
[C] [N] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [C] [C] [C] [C] [Ring1] [Branch1].[O] [=C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [Ring1] [Branch1].[Fe+10]
EVQLEESGPELVRPGTSVKISCKASGYTFTNYWLGWVKQRPGHGFEWIGDIYPGGVYTTNNEKFRGKAILTADTSSSTAYMQLSSLTSEDSAVYFCARAGGYYTGGDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVP
false
1
1
9,563
49,663
[C] [C] [=N] [C] [=C] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [N] [=C] [Ring1] [=C] [O]
GYTLWNDQIVKDEEVKIDKEDRGYQFGDGVYEVVKVYNGEMFTVNEHIDRLYASAEKIRITIPYTKDKFHQLLHELVEKNELNTGHIYFQVTRGTSPRAHQFPENTVKPVIIGYTKENPRPLENLEKGVKATFVEDIRWLRCDIKSLNLLGAVLAKQEAHEKGCYEAILHRNNTVTEGSSSNVFGIKDGILYTHPANNMIAKGITRDVVIACANEINMPVKEIPFTTHEALKMDELFVTSTTSEITPVIEIDGKLIRDGKVGEWTRKLQKQFETKIPKPLHI
true
2
1
27,604
61,729
[N] [C] [=Branch1] [C] [=O] [C] [C@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [O]
MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL
false
1
1
29,996
61,729
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring1] [N] [O]
MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL
false
1
1
9,562
68,009
[C] [C] [=N] [C] [=C] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [=O] [=C] [Ring1] [=C] [O]
MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGLI
false
1
1
821
60,256
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPYTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
false
1
1
821
60,234
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPATQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
true
2
1
35,875
39,976
[O] [=C] [N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [N] [=C] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring1] [Branch2] [O]
ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDKE
false
1
1
821
68,467
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTFLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
false
1
1
17,441
55,280
[C] [C] [C] [C] [C] [N] [Branch1] [=Branch1] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch2] [Ring1] [=Branch2] [C] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [O] [=C] [Ring1] [=N] [N] [C] [Branch1] [C] [C] [=O]
MDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCP
false
1
1
12,814
70,096
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Ring1] [#C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [#Branch1] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
true
2
1
4,283
72,249
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch2] [Branch1] [Ring2] [O] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch2] [Ring1] [#Branch2] [O] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@H1] [Ring1] [#Branch2] [N] [C] [Branch1] [C] [C] [=O] [C@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring1] [Branch2] [N] [C] [Branch1] [C] [C] [=O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring2] [Ring2] [=Branch1] [O]
RTDCYGNVNRIDTTGASCKTAKPEGLSYCGVSASKKIAERDLQAMDRYKTIIKKVGEKLCVEPAVIAGIISRESHAGKVLKNGWGDRGNGFGLMQVDKRSHKPQGTWNGEVHITQGTTILINFIKTIQKKFPSWTKDQQLKGGISAYNAGAGNVRSYARMDIGTTHDDYANDVVARAQYYKQHGY
false
1
1
27,473
39,076
[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N+1] [Branch2] [Branch1] [S] [C@@H1] [C] [C@H1] [Branch2] [Ring2] [P] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [S] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring2] [C] [O] [=C] [Ring2] [Ring2] [=Branch2]
ALTVSAGTKSKLAKPIQDLIKMIFDVESMKKAMVEFEIDLQKMPLGKLSKRQIQSAYSILNEVQQAVSDGGSESQILDLSNRFYTLIPHDFGMKKPPLLSNLEYIQAKVQMLDNLLDIEVAYSLLRGGNEDGDKDPIDINYEKLRTDIKVVDKDSEEAKIIKQYVKNTHAATHNAYDLKVVEIFRIEREGESQRYKPFKQLHNRQLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQADPIGLILLGEVALGNMYELKNASHITKLPKGKHSVKGLGKTAPDPTATTTLDGVEVPLGNGISTGINDTCLLYNEYIVYDVAQVNLKYLLKLKFNYKTSLW
false
1
1
30,202
62,708
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring1] [Ring1] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring1] [S] [O]
MMTGQVPILVLKEGTQREQGKNAQRNNIEAAKAIADAVRTTLGPKGMDKMLVDSIGDIIISNDGATILKEMDVEHPTAKMIVEVSKAQDTAVGDGTTTAVVLSGELLKQAETLLDQGVHPTVISNGYRLAVNEARKIIDEIAEKSTDDATLRKIALTALSGKNTGLSNDFLADLVVKAVNAVAEVRDGKTIVDTANIKVDKKNGGSVNDTQFISGIVIDKEKVHSKMPDVVKNAKIALIDSALEIKKTEIEAKVQISDPSKIQDFLNQETNTFKQMVEKIKKSGANVVLCQKGIDDVAQHYLAKEGIYAVRRVKKSDMEKLAKATGAKIVTDLDDLTPSVLGEAETVEERKIGDDRMTFVMGCKNPKAVSILIRGGTDHVVSEVERALNDAIRVVAITKEDGKFLWGGGAVEAELAMRLAKYANSVGGREQLAIEAFAKALEIIPRTLAENAGIDPINTLIKLKADDEKGRISVGVDLDNNGVGDMKAKGVVDPLRVKTHALESAVEVATMILRIDDVIASKKSTPPSGQGGQGQGMPGGGMPEY
false
1
1
3,755
47,173
[C] [C] [=Branch1] [C] [=O] [C@H1] [C] [C] [C@H1] [C@@H1] [C] [C] [C] [=C] [C] [=Branch1] [C] [=O] [C] [C] [C@] [Ring1] [#Branch1] [Branch1] [C] [C] [C@H1] [Ring1] [N] [C] [C] [C@] [Ring2] [Ring1] [Ring1] [Ring1] [S] [C]
GQDIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
true
2
1
30,235
50,960
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring2] [Branch1] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring1] [Branch2] [N] [C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring1] [N] [O]
KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHESLADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTTQVEKHIIVACGGKPSVPVHFDASV
false
1
1
4,244
71,886
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring1] [#Branch2] [O]
RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
false
1
1
17,647
42,574
[C] [C] [C] [N] [Branch1] [O] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [C@@H1] [O] [C] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [=C] [C@H1] [Branch1] [C] [N] [C@H1] [Ring1] [#Branch2] [N] [C] [Branch1] [C] [C] [=O]
EPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKECKHFALTHYAAQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDSNALIKIKYGEAYTDTYHSYANNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEIFPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTPRPDDGSITGPCESNGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMGMELYVRYDGDPWTDSDALAHSGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKKTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
false
1
1
2,671
62,918
[C] [C@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [Ring2] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=N] [C] [C] [C] [C@@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
MNIFEMLRIDEGLRLKIYKDTEGYYEIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
false
1
1
5,047
62,918
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [=N] [O] [C@H1] [C@H1] [Branch1] [Branch2] [O] [C@H1] [Branch1] [C] [C] [C] [=O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [#C] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring1] [O] [O]
MNIFEMLRIDEGLRLKIYKDTEGYYEIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
false
1
1
5,047
38,439
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [=N] [O] [C@H1] [C@H1] [Branch1] [Branch2] [O] [C@H1] [Branch1] [C] [C] [C] [=O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [#C] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring1] [O] [O]
AEKA
false
1
1
36,323
56,172
[O] [=P] [Branch1] [C] [O] [Branch1] [C] [O] [O] [C] [C] [C] [C] [=C] [N] [C] [=C] [C] [=C] [Branch1] [C] [F] [C] [=C] [Ring1] [#Branch2] [Ring1] [#Branch1]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA
false
1
1
36,252
56,174
[O] [=P] [Branch1] [C] [O] [Branch1] [C] [O] [O] [C] [C@@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [C] [O] [C] [=C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch2] [Ring1] [=Branch1]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLANGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA
false
1
1
3,552
60,467
[C] [C@] [C] [C] [C@@H1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [C] [C@H1] [Ring1] [O] [C@@H1] [Ring1] [#C] [C] [C] [C@@H1] [Ring2] [Ring1] [C] [O]
MIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHERLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS
false
1
1
37,345
72,829
[O] [C] [C@H1] [O] [C@@] [Branch1] [Ring1] [C] [O] [Branch2] [Ring1] [Branch1] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@H1] [Ring1] [#Branch2] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring1] [Ring2] [O]
SGFEFHGYARSGVIMNDSGASTKSGAYITPAGETGGAIGRLGNQADTYVEMNLEHKQTLDNGATTRFKVMVADGQTSYNDWTASTSDLNVRQAFVELGNLPTFAGPFKGSTLWAGKRFDRDNFDIHWIDSDVVFLAGTGGGIYDVKWNDGLRSNFSLYGRNFGDIDDSSNSVQNYILTMNHFAGPLQMMVSGLRAKDNDERKDSNGNLAKGDAANTGVHALLGLHNDSFYGLRDGSSKTALLYGHGLGAEVKGIGSDGALRPGADTWRIASYGTTPLSENWSVAPAMLAQRSKDRYADGDSYQWATFNLRLIQAINQNFALAYEGSYQYMDLKPEGYNDRQAVNGSFYKLTFAPTFKVGSIGDFFSRPEIRFYTSWMDWSKKLNNYASDDALGSDGFNSGGEWSFGVQMETWF
false
1
1
17,442
55,280
[C] [C] [C] [C] [C] [N] [Branch1] [=Branch1] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch2] [Ring1] [Branch1] [C] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=C] [Ring1] [O] [N] [C] [Branch1] [C] [C] [=O]
MDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCP
false
1
1
26,697
50,737
[N] [=C] [Branch1] [C] [N] [N] [C] [C] [C] [C@H1] [Branch2] [Ring2] [Branch1] [N] [C] [=Branch1] [C] [=O] [C@@H1] [C] [C] [N] [C] [C] [C@@] [Branch1] [C] [N] [Branch1] [#Branch2] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [Ring2] [Ring1] [C] [Ring1] [#C] [C@H1] [Branch1] [C] [O] [C] [=N] [C] [=C] [S] [Ring1] [Branch1]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
821
68,481
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
false
1
1
7,187
62,935
[C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
false
1
1
4,824
71,886
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [#Branch1] [O] [C@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [O] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch2] [=Branch1] [S] [O] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch2] [Branch1] [O] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@@H1] [Ring2] [Ring2] [O] [O] [C@@H1] [Ring2] [=Branch1] [Ring1] [O]
RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
false
1
1
4,824
71,566
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [#Branch1] [O] [C@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [O] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch2] [=Branch1] [S] [O] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch2] [Branch1] [O] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@@H1] [Ring2] [Ring2] [O] [O] [C@@H1] [Ring2] [=Branch1] [Ring1] [O]
QVQLQQSGAELVKPGASVRMSCKASGYTFTNYNMYWVKQSPGQGLEWIGIFYPGNGDTSYNQKFKDKATLTADKSSNTAYMQLSSLTSEDSAVYYCARSGGSYRYDGGFDYWGQGTTVTV
false
1
1
4,824
40,800
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [#Branch1] [O] [C@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [O] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch2] [=Branch1] [S] [O] [C@@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch2] [Branch1] [O] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@H1] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [#Branch2] [O] [C@@H1] [Ring2] [Ring2] [O] [O] [C@@H1] [Ring2] [=Branch1] [Ring1] [O]
DIELTQTTSSLSASLGDRVTISCRASQDISNYLNWYQQNPDGTVKLLIYYTSNLHSEVPSRFSGSGSGTDYSLTISNLEQEDIATYFCQQDFTLPFTFGGGTAA
false
1
1
37,357
71,886
[O] [C] [C@H1] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [=Branch2] [O]
RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
false
1
1
17,433
63,758
[C] [C] [C] [C] [C] [C] [S] [C] [C@H1] [Branch1] [P] [N] [C] [=Branch1] [C] [=O] [C] [C] [C@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPAFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
true
2
1
821
68,457
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
true
2
1
27,205
49,043
[N] [C@H1] [Branch1] [Ring1] [C] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O]
GSPGISGGGGGILDSMERRGRIYIQAHIDREVLIVVVRDAKNLVPMDPNGLSDPYVKLKLIPDPKSESKQKTKTIKCSLNPEWNETFRFQLKESDKDRRLSVEIWDWDLTSRNDFMGSLSFGISELQKAGVDGWFKLLSQEEGEYFNVP
false
1
1
27,021
63,759
[N] [C@@H1] [Branch2] [Ring1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Ring1] [C] [S] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
543
63,759
[C] [=C] [Branch1] [Ring1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [Branch1] [Branch2] [O] [C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [Cl] [=C] [Ring1] [N] [Cl]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
27,077
63,759
[N] [C@@H1] [Branch2] [Ring2] [=N] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch2] [Ring1] [#Branch1] [C] [S] [C] [=C] [C] [=C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [C] [=C] [Ring1] [=Branch2] [N+1] [=Branch1] [C] [=O] [O-1] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
17,325
63,759
[C] [C] [C] [C] [C] [C] [C] [C] [C] [S] [C] [C@H1] [Branch1] [P] [N] [C] [=Branch1] [C] [=O] [C] [C] [C@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
12,829
50,551
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Ring1] [#C] [N] [C] [=Branch1] [C] [=O] [C] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Ring1] [C] [S] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C@@H1] [Branch1] [C] [C] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [Branch1] [C] [N] [=O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=N] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [O]
IKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP
false
1
1
54
68,481
[C-1] [#N+1] [C] [C] [C]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
false
1
1
4,722
74,490
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [#Branch1] [O] [C@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [O] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring1] [#Branch1] [O]
SPLLETCVPDRGREYRGRLAVTTHGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR
true
2
1
4,722
50,711
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@H1] [Branch2] [Ring1] [#Branch1] [O] [C@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [#Branch1] [N] [C] [Branch1] [C] [C] [=O] [C] [O] [C@@H1] [Ring1] [O] [C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring1] [#Branch1] [O]
IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
true
2
1
19,256
50,737
[C] [N] [Branch1] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Branch2] [Ring2] [=C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [C] [C] [N] [C] [=Branch1] [C] [=N] [N] [C] [=Branch1] [C] [=O] [N] [C] [C] [C] [C] [C@@H1] [Ring1] [=Branch1] [C] [C] [C] [=Branch1] [C] [=O] [C] [=N] [C] [=C] [S] [Ring1] [Branch1] [C] [=C] [C] [=C] [Ring2] [Ring2] [#Branch1] [Ring2] [Ring2] [Ring1]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
29,713
67,369
[N] [C] [=N] [C] [=C] [Branch2] [Ring2] [#C] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring1] [O] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [C] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring1] [Ring2] [O] [C] [=Branch1] [C] [=O] [N] [Ring2] [Ring1] [#C]
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH
false
1
1
27,461
74,857
[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [C] [Branch2] [Branch1] [S] [C@@H1] [O] [C@H1] [Branch2] [Ring2] [P] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [S] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring2] [C] [O] [=N] [Ring2] [Ring2] [=Branch2]
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLWTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGAGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFDLLRSGESIRTILTF
false
1
1
9,562
68,008
[C] [C] [=N] [C] [=C] [Branch1] [O] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [Branch1] [Ring1] [C] [=O] [=C] [Ring1] [=C] [O]
MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGEI
false
1
1
26,948
68,008
[N] [C@@H1] [Branch1] [Ring1] [C] [O] [C] [=Branch1] [C] [=O] [O]
MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGEI
false
1
1
821
60,253
[C] [=C] [C] [=C] [Branch1] [C] [C] [C] [=C] [C] [=C] [Branch1] [C] [C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Branch2] [Ring2] [#C] [C] [=C] [N] [=C] [Branch2] [Ring1] [=Branch2] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [C] [Ring2] [Ring1] [=Branch2] [=N] [Ring2] [Ring1] [#Branch1] [C] [Branch1] [C] [C] [=C] [Ring1] [=Branch2] [C] [=C] [C] [Branch1] [C] [C] [=C] [Ring2] [Ring1] [C] [C] [C] [C] [=Branch1] [C] [=O] [O] [N-1] [Ring2] [Ring2] [Ring1].[Fe+2]
MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
false
1
1
27,474
72,376
[N] [C] [=Branch1] [C] [=O] [C] [=C] [C] [=C] [N+1] [Branch2] [Branch1] [S] [C@@H1] [O] [C@H1] [Branch2] [Ring2] [P] [C] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O-1] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [S] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring2] [C] [O] [=C] [Ring2] [Ring2] [=Branch2]
SAATQAVPTPNQQPEVLYNQIFINNEWHDAVSKKTFPTVNPSTGDVICHVAEGDKADVDRAVKAARAAFQLGSPWRRMDASERGRLLNRLADLIERDRTYLAALETLDNGKPYIISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDYFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNVIPGFGPTAGAAIASHEDVDKVAFTGSTEVGHLIQVAAGKSNLKRVTLEIGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYAEFVERSVARAKSRVVGNPFDSRTEQGPQVDETQFKKVLGYIKSGKEEGLKLLCGGGAAADRGYFIQPTVFGDLQDGMTIAKEEIFGPVMQILKFKSMEEVVGRANNSKYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKLSGSGRELGEYGLQAYTEVKTVTVRVPQKNS
false
1
1
5,477
70,266
[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [Branch1] [=Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [O] [=C] [C] [=C] [C] [Branch1] [=Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [O] [=C] [C] [Branch1] [C] [O] [=C] [Ring2] [Ring1] [Ring1] [Ring1] [O]
PRGLGPLQIWQTDFTLEPRMAPRSWLAVTVDTASSAIVVTQHGRVTSVAAQHHWATAIAVLGRPKAIKTDNGSCFTSKSTREWLARWGIAHTTGIPGNSQGQAMVERANRLLKDKIRVLAEGDGFMKRIPTSKQGELLAKAMYALNHFERGENTKTNL
false
1
1
29,611
50,960
[N] [C] [=N] [C] [=C] [Branch2] [Branch1] [=Branch2] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring2] [Branch1] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring1] [Branch2] [N] [C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring2] [Ring1] [N] [O] [C] [=Branch1] [C] [=O] [N] [Ring2] [Ring2] [#Branch1]
KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHESLADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTTQVEKHIIVACGGKPSVPVHFDASV
false
1
1
12,847
50,737
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch2] [Ring1] [=Branch1] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [C] [O] [C] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [=C] [Ring1] [#Branch1] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch2] [Ring1] [Ring2] [C] [=Branch1] [C] [=O] [N] [C@H1] [Branch1] [Ring1] [C] [O] [C] [C] [C] [N] [=C] [Branch1] [C] [N] [N] [C] [C@@H1] [C] [C] [C@@H1] [Branch1] [C] [O] [C] [C@@H1] [Ring1] [#Branch1] [Ring2] [Ring1] [#Branch1]
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
false
1
1
4,244
50,355
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [C@@H1] [Branch1] [C] [O] [C@H1] [Branch1] [C] [O] [C@@H1] [Branch1] [Ring1] [C] [O] [O] [C@H1] [Ring1] [#Branch2] [O]
HVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEF
false
1
1
26,987
61,421
[N] [C@@H1] [Branch2] [Ring1] [#C] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [#Branch2] [C] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
MKLFYKPGACSLASHITLRESGKDFTLVSVDLMKKRLENGDDYFAVNPKGQVPALLLDDGTLLTEGVAIMQYLADSVPDRQLLAPVNSISRYKTIEWLNYIATELHKGFTPLFRPDTPEEYKPTVRAQLEKKLQYVNEALKDEHWICGQRFTIADAYLFTVLRWAYAVKLNLEGLEHIAAFMQRMAERPEVQDALSAEGLK
false
1
1
13,311
62,935
[C] [C] [Branch1] [C] [C] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
false
1
1
27,088
70,026
[N] [C@@H1] [Branch2] [Ring2] [O] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [N] [C] [S] [C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [=Branch1] [C] [=Branch1] [C] [=O] [O] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [=Branch1] [C] [=O] [O]
PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
true
2
1
16,794
55,280
[C] [C] [C] [C] [C@@H1] [C] [C] [C] [N] [Branch2] [Branch1] [C] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch2] [Ring1] [Branch1] [C] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=C] [Ring1] [O] [N] [C] [Branch1] [C] [C] [=O] [C] [Ring2] [Ring2] [C]
MDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCP
false
1
1
17,443
55,280
[C] [C] [C] [C] [C] [N] [Branch1] [=Branch1] [C] [C] [C] [C] [C] [C] [=Branch1] [C] [=O] [C@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [N] [C] [=Branch1] [C] [=O] [C@H1] [Branch2] [Ring1] [O] [C] [C] [=C] [C] [=C] [Branch1] [S] [C] [Branch1] [C] [F] [Branch1] [C] [F] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=C] [Ring1] [=N] [N] [C] [Branch1] [C] [C] [=O]
MDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCP
false
1
1
32,354
72,687
[O] [=C] [Branch1] [C] [O] [C@@H1] [C] [C] [C] [N] [Ring1] [Branch1]
SEISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFWYFTGFNEPEAVLVLIKSDDTHNHSVLFNRVRDLTAEIWFGRRLGQDAAPEKLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSALEKLRKGSRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRSRILEPGMVLTVEPGLYIAPDAEVPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEIEALMVAARKQ
false
1
1
12,062
72,687
[C] [C] [Branch1] [C] [C] [C] [C@H1] [Branch1] [C] [N] [C] [=Branch1] [C] [=O] [O]
SEISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFWYFTGFNEPEAVLVLIKSDDTHNHSVLFNRVRDLTAEIWFGRRLGQDAAPEKLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSALEKLRKGSRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRSRILEPGMVLTVEPGLYIAPDAEVPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEIEALMVAARKQ
false
1
1
970
62,935
[C] [=C] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [C] [Ring1] [=Branch2]
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
false
1
1
33,071
63,759
[O] [=C] [Branch1] [C] [O] [C] [=C] [C] [Branch2] [Ring1] [=N] [/N] [=N] [/C] [=C] [C] [=C] [Branch1] [P] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [C] [=N] [Ring1] [=Branch1] [C] [=C] [Ring1] [S] [=C] [C] [=C] [Ring2] [Ring1] [Branch2] [O]
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
36,040
70,026
[O] [=C] [O] [C] [Branch2] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [=Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [O] [=C] [Ring1] [O] [Branch2] [Ring1] [=Branch1] [C] [=C] [C] [=C] [Branch1] [C] [O] [C] [Branch1] [=Branch2] [S] [=Branch1] [C] [=O] [=Branch1] [C] [=O] [O] [=C] [Ring1] [O] [C] [=C] [Branch1] [C] [Br] [C] [Branch1] [C] [Br] [=C] [Branch1] [C] [Br] [C] [Branch1] [C] [Br] [=C] [Ring2] [Ring2] [Ring1] [Ring1] [#Branch2]
PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
27,021
70,026
[N] [C@@H1] [Branch2] [Ring1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Ring1] [C] [S] [C] [=Branch1] [C] [=O] [N] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [O]
PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
false
1
1
9,141
53,520
[C] [C] [=C] [N] [Branch3] [Ring1] [C] [P] [C@H1] [C] [C@H1] [Branch2] [=Branch1] [Ring2] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [=N] [N] [C] [=C] [C] [Branch1] [C] [N] [=N] [C] [Ring1] [#Branch1] [=O] [C] [C@@H1] [Ring1] [=N] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [C] [C@@H1] [Ring1] [#C] [O] [C@@H1] [Branch2] [=N] [S] [C] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@H1] [C] [C@H1] [Branch2] [Ring1] [C] [N] [C] [=N] [C] [=C] [Ring1] [Branch1] [N] [C] [Branch1] [C] [N] [=N] [C] [Ring1] [#Branch1] [=O] [O] [C@@H1] [Ring1] [S] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@H1] [C] [C@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [O] [C@@H1] [Ring1] [#C] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@H1] [C] [C@H1] [Branch2] [Ring1] [C] [N] [C] [=N] [C] [=C] [Ring1] [Branch1] [N] [C] [Branch1] [C] [N] [=N] [C] [Ring1] [#Branch1] [=O] [O] [C@@H1] [Ring1] [S] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@H1] [C] [C@H1] [Branch1] [P] [N] [C] [=N] [C] [=C] [Branch1] [C] [N] [N] [=C] [N] [=C] [Ring1] [#Branch1] [Ring1] [#Branch2] [O] [C@@H1] [Ring1] [#C] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@H1] [C] [C@H1] [Branch2] [Ring1] [C] [N] [C] [=N] [C] [=C] [Ring1] [Branch1] [N] [C] [Branch1] [C] [N] [=N] [C] [Ring1] [#Branch1] [=O] [O] [C@@H1] [Ring1] [S] [C] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [O] [Ring2] [O] [S] [C] [=Branch1] [C] [=O] [N] [C] [Ring2] [N] [#Branch1] [=O]
MALTNAQILAVIDSWEETVGQFPVITHHVPLGGGLQGTLHCYEIPLAAPYGVGFAKNGPTRWQYKRTINQVVHRWGSHTVPFLLEPDNINGKTCTASHLCHNTRCHNPLHLCWESLDDNKGRNWCPGPNGGCVHAVVCLRQGPLYGPGATVAGPQQRGSHFVV
false
1
1
26,692
75,243
[N] [=C] [Branch1] [C] [N] [N] [C] [C] [C] [C@H1] [Branch2] [Ring1] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C] [N] [C] [=Branch1] [C] [=O] [C@@H1] [Branch1] [C] [N] [C] [C] [C] [=Branch1] [C] [=O] [O] [C@H1] [Branch1] [C] [O] [C] [Cl]
TCGLRKYKEPQLHSTGGLFTDITSHPWQAAIFAQNRRSSGERFLCGGILISSCWVLTAAHCFQESYLPDQLKVVLGRTYRVKPGEEEQTFKVKKYIVHKEFDDDTYNNDIALLQLKSDSPQCAQESDSVRAICLPEANLQLPDWTECELSGYGKHKSSSPFYSEQLKEGHVRLYPSSRCAPKFLFNKTVTNNMLCAGDTRSGEIYPNVHDACQGDSGGPLVCMNDNHMTLLGIISWGVGCGEKDVPGVYTKVTNYLGWIRDNMHL
false
1
1
4,569
55,043
[C] [C] [=Branch1] [C] [=O] [N] [C@H1] [C@@H1] [Branch2] [Ring2] [N] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P@@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [C@H1] [O] [C@@H1] [Branch1] [=N] [N] [C] [=C] [C] [=Branch1] [C] [=O] [N] [C] [Ring1] [#Branch1] [=O] [C@H1] [Branch1] [C] [O] [C@@H1] [Ring1] [=C] [O] [O] [C@H1] [Branch1] [Ring1] [C] [O] [C@@H1] [Branch1] [C] [O] [C@@H1] [Ring2] [Ring2] [C] [O] [C@@] [Branch1] [Ring1] [C] [F] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=Branch1] [C] [=O] [O]
MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDVDTSMKLLSQLGAKVERNGSVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGATIGARPVDLHISGLEQLGATIKLEEGYVKASVDGRLKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFLVAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERVKGE
false
1
1
30,202
60,316
[N] [C] [=N] [C] [=N] [C] [=C] [Ring1] [=Branch1] [N] [=C] [N] [Ring1] [Branch1] [C@@H1] [O] [C@H1] [Branch2] [Ring1] [Ring1] [C] [O] [P@] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C@@H1] [Branch1] [C] [O] [C@H1] [Ring1] [S] [O]
MIAGQPIFILKEGTKRESGKDAMKENIEAAIAISNSVRSSLGPRGMDKMLVDSLGDIVITNDGVTILKEMDVEHPAAKMMVEVSKTQDSFVGDGTTTAVIIAGGLLQQAQGLINQNVHPTVISEGYRMASEEAKRVIDEISTKIGADEKALLLKMAQTSLNSKSASVAKDKLAEISYEAVKSVAELRDGKYYVDFDNIQVVKKQGGAIDDTQLINGIIVDKEKVHPGMPDVVKDAKIALLDAPLEIKKPEFDTNLRIEDPSMIQKFLAQEENMLREMVDKIKSVGANVVITQKGIDDMAQHYLSRAGIYAVRRVKKSDMDKLAKATGASIVSTIDEISSSDLGTAERVEQVKVGEDYMTFVTGCKNPKAVSILVRGETEHVVDEMERSITDSLHVVASALEDGAYAAGGGATAAEIAFRLRSYAQKIGGRQQLAIEKFADAIEEIPRALAENAGLDPIDILLKLRAEHAKGNKTYGINVFTGEIEDMVKNGVIEPIRVGKQAIESATEAAIMILRIDDVIATKSSSSSSNPPKSGSSSESSED
false
1
1
5,416
42,480
[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch2] [Ring2] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C@@H1] [C] [C] [C] [C] [Branch1] [=N] [N] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [O] [Branch1] [Branch1] [C] [C] [Ring1] [=C] [C@@H1] [Ring1] [S] [C] [Ring2] [Ring1] [Ring2] [=O] [C] [=C] [Ring2] [Ring1] [O]
ELVMTQTPLSLPVSLGDQASISCRSSQSLLHSNGNTYLHWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQVTHVPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
false
1
1
5,416
71,427
[C] [C] [=Branch1] [C] [=O] [N] [C] [=C] [C] [=C] [Branch2] [Ring2] [#Branch1] [N] [C] [=Branch1] [C] [=O] [C@@H1] [C] [C] [C] [C] [Branch1] [=N] [N] [C] [=Branch1] [C] [=O] [O] [C] [C] [=Branch1] [C] [=O] [O] [Branch1] [Branch1] [C] [C] [Ring1] [=C] [C@@H1] [Ring1] [S] [C] [Ring2] [Ring1] [Ring2] [=O] [C] [=C] [Ring2] [Ring1] [O]
QVQLLESGPELKKPGETVKISCKASGYTFTNYGMNWVKQAPGKGLKWMGWINTYTGEPTYADDFKGRFAFSLETSASTAYLQINNLKNEDTATYFCVQAERLRRTFDYWGAGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
false
1
1
21,046
38,276
[C] [N] [C] [C] [N] [Branch2] [Ring2] [Ring1] [C] [C] [C] [N] [C] [=C] [C] [=C] [C] [=C] [Ring1] [=Branch1] [S] [C] [=C] [C] [=C] [Branch1] [=Branch2] [C] [Branch1] [C] [F] [Branch1] [C] [F] [F] [C] [=C] [Ring1] [#Branch2] [Ring2] [Ring1] [C] [C] [C] [Ring2] [Ring1] [O]
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
false
1
1
7,733
41,909
[C] [C] [=C] [C] [Branch1] [C] [C] [=C] [C] [=C] [N-1] [C] [=Branch1] [#Branch2] [=C] [Branch1] [C] [C] [C] [Ring1] [=Branch1] [=C] [C] [C] [=C] [N-1] [C] [=Branch2] [Ring1] [S] [=C] [C] [=C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [Branch1] [C] [C] [=C] [Branch1] [#Branch2] [C] [=C] [Ring2] [Ring1] [=C] [N-1] [Ring2] [Ring1] [N] [N-1] [Ring1] [=C] [C] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [=C] [Ring2] [Ring1] [=Branch2] [C].[Fe+4]
EADLALGKAVFDGNCAACHAGGGNNVIPDHTLQKAAIEQFLDGGFNIEAIVYQIENGKGAMPAWDGRLDEDEIAGVAAYVYDQAAGNKW
false
1
1
33,410
40,328
[O] [=C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [Branch1] [C] [I] [=C] [Branch1] [C] [O] [C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [=C] [Ring1] [O]
AVVTQESALTTSPGETVTLTCRSSTGAVTTSNYANWVQEKPDHLFTGLIGGTNNRAPGVPARFSGSLIGNKAALTITGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLE
false
1
1
33,410
71,536
[O] [=C] [Branch1] [C] [O] [C] [C] [C] [C] [C] [N] [C] [=Branch1] [C] [=O] [C] [C] [=C] [C] [Branch1] [C] [I] [=C] [Branch1] [C] [O] [C] [Branch1] [=Branch1] [N+1] [=Branch1] [C] [=O] [O-1] [=C] [Ring1] [O]
QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGRIDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARYDYYGSSYFDYWGQGTTVTVSS
false
1
1
4,185
55,280
[C] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch2] [Ring1] [Branch1] [C] [C] [=C] [C] [=C] [Branch1] [#Branch2] [O] [P] [=Branch1] [C] [=O] [Branch1] [C] [O] [O] [C] [=C] [Ring1] [O] [C] [=Branch1] [C] [=O] [N] [C@@H1] [Branch1] [Branch2] [C] [C] [C] [=Branch1] [C] [=O] [O] [C] [=Branch1] [C] [=O] [N] [Branch1] [C] [C] [C] [C] [C] [C] [C] [C] [C] [C] [Ring1] [Branch1]
MDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCP
false
1
1
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