Unnamed: 0
int64 0
12.1k
| enzyme_class
stringclasses 1
value | pollutant
stringclasses 30
values | sequence
stringlengths 14
1.27k
| reactant_descriptors
stringclasses 28
values | reactant_smiles
stringclasses 29
values | uniprot_ids
stringlengths 6
10
| product_smiles
stringclasses 86
values | product_descriptors
stringclasses 86
values |
|---|---|---|---|---|---|---|---|---|
0
|
dioxygenase
|
benzene
|
MTARNLAEWQNFVQGCIDFRPNDGVYRIARDMFTEPELFELEMELIFEKVWIYACHESEIPNNNDFVTVQIGRQPMIVSRDGKGELHAMVNACEHRGATLTRVAKGNQSVFTCPFHAWCYKSDGRLVKVKAPGEYCEDFDKSSRGLKQGRIASYRGFVFVSLDTQATDSLEDFLGDAKVFLDLMVDQSPTGELEVLQGKSAYTFAGNWKLQNENGLDGYHVSTVHYNYVSTVQHRQQVNAAKGDELDTLDYSKLGAGDSETDDGWFSFKNGHSVLFSDMPNPTVRPGYNTVMPYLVEKFGEKRAEWAMHRLRNLNLYPSLFFMDQISSQLRIIRPVAWNKTEVISQCIGVKGESSEARRNRIRQFEDFFNVSGLGTPDDLVEFREQQKGFQGRIERWSDISRGYHQWTYGPTQNSQDLGIEPVITGREFTHEGLYVNQHGQWQRLILDGLNKKALKMHDVTFDNQSVMDEV
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
O85673
|
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
|
1
|
dioxygenase
|
benzene
|
MNQTDTSPIRLRRSWNTSEIEALFDEHAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETQIRKPGDYITTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRADAGNAKAFTCSYHGWAYDTAGNLVNVPYEAESFACLNKKEWSPLKARVETYKGLIFANWDENAVDLDTYLGEAKFYMDHMLDRTEAGTEAIPGVQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPEDLEMADLAPPTVGKQYRASWGGHGSGFYVGDPNLMLAIMGPKVTSYWTEGPASEKAAERLGSVERGSKLMVEHMTVFPTCSFLPGINTVRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMDQTVDNDPVYPGRISNNVYSEEAARGLYAHWLRMMTSPDWDALKATR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A5W4F2
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
2
|
dioxygenase
|
benzene
|
MQESIIQWHGATNTRVPFGIYTDTANADQEQQRIYRGEVWNYLCLESEIPGAGDFRTTFAGETPIVVVRDADQEIYAFENRCAHRGALIALEKSGRTDSFQCVYHAWSYNRQGDLTGVAFEKGVKGQGGMPASFCKEEHGPRKLRVAVFCGLVFGSFSEDVPSIEDYLGPEICERIERVLHKPVEVIGRFTQKLPNNWKLYFENVKDSYHASLLHMFFTTFELNRLSQKGGVIVDESGGHHVSYSMIDRGAKDDSYKDQAIRSDNERYRLKDPSLLEGFEEFEDGVTLQILSVFPGFVLQQIQNSIAVRQLLPKSISSSELNWTYLGYADDSAEQRKVRLKQANLIGPAGFISMEDGAVGGFVQRGIAGAANLDAVIEMGGDHEGSSEGRATETSVRGFWKAYRKHMGQEMQA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q3C1D5
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
|
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
|
3
|
dioxygenase
|
benzene
|
MNHQIHIHDSDIAFPCAPGQSVLDAALQAGIELPYSCRKGSCGNCASALLDGNITSFNGMAVRSELCTSEQVLLCGCTAASDIRIQPSSFRRLDPEARKRFTAKVYSNTLAAPDVSLLRLRLPVGKRAKFEAGQYLLIHLDDGESRSYSMANPPHESDGITLHVRHVPGGRFSTIVQQLKSGDTLEIELPFGSIALKPDDTRPLICVAGGTGFAPIKSVLDDLAKRKVQRDITLIWGARNPSGLYLPSAIDKWRKTWPQFRYIAAITDLGNVPADAHAGRVDDALRTHFGNLHDHVVHCCGSPSLVQSVRTAASDMGLLAQNFHADVFATSPTGSH
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q3C1E0
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
|
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
|
4
|
dioxygenase
|
benzene
|
MQESIIQWHGATNTRVPFGIYTDTANADQEQQRIYRGEVWNYLCLESEIPGAGDFRTTFAGETPIVVVRDADQEIYAFENRCAHRGALIALEKSGRTDSFQCVYHAWSYNRQGDLTGVAFEKGVKGQGGMPASFCKEEHGPRKLRVAVFCGLVFGSFSEDVPSIEDYLGPEICERIERVLHKPVEVIGRFTQKLPNNWKLYFENVKDSYHASLLHMFFTTFELNRLSQKGGVIVDESGGHHVSYSMIDRSAKDDSYKDQAIRSDNERYRLKDPSLLEGFEEFEDGVTLQILSVFPGFVLQQIQNSIAVRQLLPKSISSSELNWTYLGYADDSTEQRKVRLKQANLIGPAGFISMEDGAVGGFVQRGIAGAANLDAVIEMGGDHEGSSEGRATETSVRGFWKAYRKHMGQEMQA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q3C1E3
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
|
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
|
5
|
dioxygenase
|
benzene
|
MTDVQCEPALAGRKPKWADADIAELVDERTGRLDPRIYTDEALYEQELERIFGRSWLLMGHETQIPKAGDFMTNYMGEDPVMVVRQKNGEIRVFLNQCRHRGMRICRADGGNAKSFTCSYHGWAYDTGGNLVSVPFEEQAFPGLRKEDWGPLQARVETYKGLIFANWDADAPDLDTYLGEAKFYMDHMLDRTEAGTEAIPGIQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPDGVDLSELAPPTEGIQYRATWGGHGSGFYIGDPNLLLAIMGPKVTEYWTQGPAAEKASERLGSTERGQQLMAQHMTIFPTCSFLPGINTIRAWHPRGPNEIEVWAFTVVDADAPEEMKEEYRQQTLRTFSAGGVFEQDDGENWVEIQQVLRGHKARSRPFNAEMGLGQTDSDNPDYPGTISYVYSEEAARGLYTQWVRMMTSPDWAALDATRPAVSESTHT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q53122
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC=C(C=C1)C2=CC=C[C@@H]([C@@H]2O)O']
|
[[364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 222.671, 2.0150000000000006, 2, 2, 1, 1, 0.16666666666666666, 60.58260000000003, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 188.22599999999997, 1.3616, 2, 2, 1, 1, 0.16666666666666666, 55.57260000000003, 0]]
|
6
|
dioxygenase
|
benzene
|
MIDSANRADVFLRKPAPVAPELQHEVEQFYYWEAKLLNDRRFEEWFALLAEDIHYFMPIRTTRIMRDSRLEYSGSREYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHLVSNVMIVGAEAEGEYEISSAFIVYRNRLERQLDIFAGERRDTLRRNTSEAGFEIVNRTILIDQSTILANNLSFFF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A5W4F1
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
7
|
dioxygenase
|
benzene
|
MNQTDTSPIRLRRSWNTSEIEALFDEHAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETQIRKPGDYITTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRADAGNAKAFTCSYHGWAYDTAGNLVNVPYEAESFACLNKKEWSPLKARVETYKGLIFANWDENAVDLDTYLGEAKFYMDHMLDRTEAGTEAIPGVQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPEDLEMADLAPPTVGKQYRASWGGHGSGFYVGDPNLMLAIMGPKVTSYWTEGPASEKAAERLGSVERGSKLMVEHMTVFPTCSFLPGINTVRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMDQTVDNDPVYPGRISNNVYSEEAARGLYAHWLRMMTSPDWDALKATR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A5W4F2
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
8
|
dioxygenase
|
benzene
|
MIDSANRADVFLRKPAPVAPELQHEVEQFYYWEAKLLNDRRFEEWFALLAEDIHYFMPIRTTRIMRDSRLEYSGSREYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHLVSNVMIVGAEAEGEYEISSAFIVYRNRLERQLDIFAGERRDTLRRNTSEAGFEIVNRTILIDQSTILANNLSFFF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A5W4F1
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
9
|
dioxygenase
|
benzene
|
MSIRSLGYMGFAVSDVAAWRSFLTQKLGLMEAGTTDNGDLFRIDSRAWRIAVQQGEVDDLAFAGYEVADAAGLAQMADKLKQAGIAVTTGDASLARRRGVTGLITFADPFGLPLEIYYGASEVFEKPFLPGAAVSGFLTGEQGLGHFVRCVPDSDKALAFYTDVLGFQLSDVIDMKMGPDVTVPAYFLHCNERHHTLAIAAFPLPKRIHHFMLEVASLDDVGFAFDRVDADGLITSTLGRHTNDHMVSFYASTPSGVEVEYGWSARTVDRSWVVVRHDSPSMWGHKSVRDKAAARNKA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P47228
|
['C1=CC=C(C=C1)/C(=C/C=C\\C(=O)C(=O)O)/O', 'C1=CC(=CC=C1/C(=C/C=C/C(=O)C(=O)O)/O)Cl']
|
[[74.60000000000001, 218.20799999999994, 1.7954, 2, 3, 4, 1, 0.0, 58.83060000000001, 0], [74.60000000000001, 252.65299999999996, 2.4488, 2, 3, 4, 1, 0.0, 63.8406, 0]]
|
10
|
dioxygenase
|
benzene
|
MFNIQSDDLLHHFEADSNDTLLSAALRAELVFPYECNSGGCGACKIELLEGEVSNLWPDAPGLAARELRKNRFLACQCKPLSDLKIKVINRAEGRASHPPKRFSTRVVSKRFLSDEMFELRLEAEQKVVFSPGQYFMVDVPELGTRAYSAANPVDGNTLTLIVKAVPNGKVSCALANETIETLQLDGPYGLSVLKTADETQSVFIAGGSGIAPMVSMVNTLIAQGYEKPITVFYGSRLEAELEAAETLFGWKENLKLINVSSSVVGNSEKKYPTGYVHEIIPEYMEGLLGAEFYLCGPPQMINSVQKLLMIENKVPFEAIHFDRFF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q03304
|
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
|
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
|
11
|
dioxygenase
|
benzene
|
MINEIQIAAFNAAYAKTIDSDAMEQWPTFFTKDCHYCVTNVDNHDEGLAAGIVWADSQDMLTDRISALREANIYERHRYRHILGLPSIQSGDATQASASTPFMVLRIMHTGETEVFASGEYLDKFTTIDGKLRLQERIAVCDSTVTDTLMALPL
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q3C1D4
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
|
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
|
12
|
dioxygenase
|
benzene
|
MINEIQIAAFNAAYAKTVDSDAMEQWPTFFTKDCHYRVTNVDNHAEGLAAGIVWADSQDMLTDRISALREANIYERHRYRHILGLPSIQSGDATQASASTPFMVLRIMHTGETEVFASGEYLDKFTTIDGKLRLQERIAVCDSTVTDTLMALPL
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q3C1E2
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O']
|
[[318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [115.06, 200.146, -1.2561999999999998, 4, 4, 2, 0, 0.25, 43.4512, 0]]
|
13
|
dioxygenase
|
benzene
|
MSTPLIAGTGPSAVRQLISNAVQNDPVSGNFRCRRDIFTDAALFDYEMKYIFEQNWVFLAHESQVANPDDYLVSNIGRQPVIITRNKAGDVSAVINACSHRGAELCRRKQGNRSTFTCQFHGWTFSNTGKLLKVKDGQDDNYPEGFNVDGSHDLTRIPSFANYRGFLFGSMNPDACPIEEHLGGSKAILDQVIDQTPGELEVLRGSSSYIYDGNWKLQIENGADGYHVGSVHWNYVATIGRRDRTSDTIRTVDVTTWSKKNIGGTYTFEHGHMLLWTRLPNPEVRPVFARREELKARVGEEVADAIVNQTRNLCIYPNLYVMDQISTQIRVVRPISVDKTEVTIYCFAPRDESEEVRNARIRQYEDFFNVSGMGTPDDLEEFRACQSGYRGSAREWNDLSRGAPHWISGPDDNARRLGLAPLMSGARMEDEGLFVQQHTYWAETMLRGIEAEPKVFNVQPVEVAQ
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q51601
|
['C(=O)=O', 'C1=CC=C(C(=C1)O)O', '[Cl-]', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [0.0, 35.453, -2.996, 0, 0, 0, 0, 0.0, 0.0, -1], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
14
|
dioxygenase
|
benzene
|
MEQTASPVVFAARDDASDVHFPHDDGSRVPYKVFSSRAVYDREQERIFRGPTWNFVALEAEIPNAGDFKSTFVGDTPVVVTRTEDGALSAWVNRCAHRGAQVCRKSRGNASSHTCVYHQWSFDNEGNLLGVPFRRGQKGMTGMPADFDPKQHGLRKLRVDSYRGLVFATFSDDVAPLPDYLGAQMRPWIDRIFHKPIEYLGCTRQYSKSNWKLYMENVKDPYHASMLHLFHTTFNIFRVGMKARSIPDANHGLHSIITVTKTGDDTSAAYKQQNIRSFDEGFHLEDESILDLVSEYDEDCTNHIQPIFPQLVIQQIHNTLVARQILPKGPDNFELIFHFFGYADDTPELRALRIKQANLVGPAGYISMEDTEATELVQRGTVRDADATSVIEMSRGNPEQQDTVITESLIRKFWVGYQKLMGY
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q84BZ3
|
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
|
15
|
dioxygenase
|
benzene
|
MMQLPERVEGLHHITVATGSAQGDVDLLVKTLGQRLVKKTMFYDGARPVYHLYFGNELGEPGTLYTTFPVRQAGYTGKRGAGQISAVSYNAPVGTLSWWQEHLIKRAVTVSEVRERFGQKYLSFEHPDCGVGFEIIEQDTDGQFEPWDSPYVPKEVALRGFHSWTATLNRNEEMDSFMRNAWNLKPQGRDGNYQRYAFGNGGAAKVLDVYIDEDERPGTWALGEGQVHHAAFEVADLDVQAALKFDVEGLGYTDFSDRKHRGYFESIYVRTPGGVLFEASVTLGFTHDESPEKLGSEVKVAPQLEGVKDELLRTMNDPIVI
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q9WXE6
|
['C(=C\\C(=O)O)\\C(=O)/C=C/O']
|
[[74.6, 142.10999999999999, 0.268, 2, 3, 3, 0, 0.0, 33.551599999999986, 0]]
|
16
|
dioxygenase
|
benzene
|
MTTEAQPSDLYYGDYLQLGRLLGAQAPLSRRQGSEAHDEMLFIIVHQTYELWFRQILHELDAVLQAFSAARLDERRLASICAKLERISVIQHLLVEQISVIETMAPQDFLEFRDLLVPASGFQSLQFRAIEIKLGLREQDRTAFSACAFYQRFKPADARYLRALHTEPSLFDQVDAWLARMPFLQDKHYDFWSSYRNSIEASLSADQQLIKTHPQLSADDKERQLAQLTQTRQQFDCLFLPEAYESQRTQGLVRLSHRAIQAALFIYLYRDEPLLQQPFGLLKLLVEVDEQLTAWRYRHALMVQRMLGRRIGTGGSSGHDYLRTSAERTQIFGDFFNLASYLLPRSKLAPLPAELTRLLDFHFSTLHRDA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A9EV69
|
['C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)NC=O']
|
[[109.49000000000001, 236.227, 0.23959999999999998, 3, 4, 6, 1, 0.18181818181818182, 60.68740000000001, 0]]
|
17
|
dioxygenase
|
benzene
|
MSDGCRAQAADRQQVNLDDEKVHWDQNMSYGQYLALEPLLACQNPVSDQHDEMLFIVIHQASELWMKLCLHEAYGAAKHIREDNLRPAFKMLSRVARIQEQLINAWEVLVTMTPADYASFRDDLGQSSGFQSYQYRELEFLLGNKNARMIEAHRAHAQHYAHLQAVLKAPSLYDITLALLQKRGFDIPASHLQRDWSEPYSACPQVEAAWSEIYRNTSKYWDLYELAEKLVDMEYNFQKWRFSHMKTVERIIGYRHGTGGTAGVKYLVKALDLQFFPELWSVRTSV
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A9EWH4
|
['C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)NC=O']
|
[[109.49000000000001, 236.227, 0.23959999999999998, 3, 4, 6, 1, 0.18181818181818182, 60.68740000000001, 0]]
|
18
|
dioxygenase
|
benzene
|
MSKVLVLYYSTYGHLETMAQAVAEGARSAGATVDVKRVPETVPQEIARSAHFKLDQSAPVATVAELENYDAIIVGAPTRFGRMPSQMGSFLDQAGGLWARGALNGKVGAAFTSTATQHGGQETTLFSIITNLLHFGMVIVGLPYSFQGQMTLDEVVGGAPYGATTIAGGQGQRQPSATELDGARFQGRLVAETANKLFGG
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6M6I5I3
|
['B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC=C(C)C)O)O', 'CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N']
|
[[44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 310.43699999999995, 5.794620000000005, 2, 2, 5, 2, 0.3333333333333333, 98.14060000000005, 0], [40.46, 452.7230000000003, 9.487319999999995, 2, 2, 14, 2, 0.6129032258064516, 144.19459999999995, 0], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1]]
|
19
|
dioxygenase
|
benzene
|
MSYTKANITKRKFDVVIVGAGGSGMRASLELSRAGLNVACLSKVFPTRSHTVAAQGGVSASLGNMSEDNWHYHFYDTIKGGDWLSDQDAVEFMCREAPKVVIELEHFGMPFDRNPDGTIYQRPFGGHTANYGEKPVQRACAAADRTGHAMLHTLYQKNVESKTNFFVEWMALDLIRDAEGDVVGVTALELETGDLYELHAKAVLLATGGAGRIFAASTNAFINTGDGLGMAARAGIPLQDLEFWQFHPTGVAGAGVLLTEGCRGEGAILLNSNGERFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGCGPNKDYILMKLDHLGADTIRKRLPSVEEIGHNFANVDITKEPIPVVPTIHYQMGGIPTNIHGQVVTWDGEKNNVVNGLYAVGECAAVSVHGANRLGTNSLLDLLVFGKSAGKHIVQFVGGYGEHKAVPADGSDRTLARLNQLEESKDGVYAQDLANDIRQTMQQHAGVFRTQKGMDEGVVKINAIRERVGTVTLKDKSKVWNTARMEALEVDNLIEVAQATMTSAAARQECRGAHTVDDYEHPADHPDFPLGRNDKEWLKHTLWHSASNSLSYKPVNMKPLTVDSIPPKVRTF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6M6I7X6
|
['C(=C/C(=O)O)\\C(=O)O', 'B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl']
|
[[74.6, 116.07199999999997, -0.28819999999999985, 2, 2, 2, 0, 0.0, 24.411599999999993, 0], [44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0]]
|
20
|
dioxygenase
|
benzene
|
MTAWIDNLLFGLYPYICLAVFFIGSWARFDRDQYSWKSDSSQLLRRGSLRWGSNLFHVGVLVLFFGHFVGMLTPHALYEPFMSAGAKQIMAMVVGGVAGTLGFIGVTLLLHRRLTDARIRATSKTSDILLLWVLWVQLALGLATIPLSAQHLDGSMMMLLAEWAQRIVTFRGGAVELLANAGWVFKAHMFLGMTVFLIFPFTRLVHVWSGFGTLAYITRPYQLVRARRMNLPAGHNQPGNRNAL
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6M6I9W3
|
['N(=O)O', 'O', 'C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O']
|
[[49.66, 47.013000000000005, 0.14200000000000002, 1, 2, 0, 0, 0.0, 7.5815, 0], [31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [135.39999999999998, 348.391, 2.7951600000000005, 3, 7, 4, 3, 0.058823529411764705, 93.3289, 0]]
|
21
|
dioxygenase
|
benzene
|
MSLLPYALARSFLFGMDAEAAHELTMDMLARGQRTPLQWAWCNETVSDPIELAGLRFPNRVGLAAGLDKNARCIDALAAMGFGFVEVGTVTPRAQPGNPKPRMFRLPEARALINRLGFNNEGLDAFVANVQRSQVRTQGRGQSKLLLGLNIGKNATTPIEDATRDYLTCLEGVYPHADYVTVNISSPNTQNLRALQSDAALDGLLGAIAEHREQLAAAQGRRVPIFVKIAPDLDEAQVAVIATTLQRHGMDGVVATNTTIRRDAVQGLRHAGETGGLSGAPVLEASNAVIRQLRAALGPAFPIIGVGGILSAEDAVSKIRAGADVVQIYTGLIYEGPALVGRAAKAIRDLR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6M6IA00
|
['C1=C(NC(=O)NC1=O)C(=O)O', 'B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)Cl']
|
[[103.02, 156.09699999999998, -1.2386000000000001, 3, 3, 1, 1, 0.0, 34.64269999999999, 0], [44.760000000000005, 296.55899999999997, 2.4258000000000006, 0, 4, 2, 1, 0.5, 78.50750000000004, 0]]
|
22
|
dioxygenase
|
benzene
|
MSTTHFGFQSVQEEDKARHVRGVFDSVAPKYDLMNDLMSAGLHRAWKAYTVMVANLREGDQVLDIAGGTGDLSLAFSKKVGATGRVVHTDINEAMLRVGRDRLINEGVVLPTTVCDAEHLPFPDNHFDLVSVAFGLRNMTHKDAALREMCRVLKPRGRLLVLEFSRVAKPLEKAYDWYSFQVLPRLGKLVAGDDSSYRYLAESIRMHPGQEELKSLMQQSGFGHVDYHNMTGGIVALHVGIKC
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6M6IG37
|
['CC1=C(C2=CC=CC=C2C(=C1C/C=C(\\C)/CCC=C(C)C)O)O', 'C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N']
|
[[40.46, 310.43699999999995, 5.794620000000005, 2, 2, 5, 2, 0.3333333333333333, 98.14060000000005, 0], [182.63, 384.4180000000001, -1.4370999999999974, 5, 11, 7, 2, 0.5714285714285714, 93.21220000000004, 0]]
|
23
|
dioxygenase
|
benzene
|
MKILHTMLRVGHLERSIAFYTQVLGMSLLRRSENPEYRYSLAFLGYEGGNPAQAELELTFNWDTEQYDMGTAYGHIAIGVPDAYAACEKIKAAGGQVTREAGPVKGGSTVIAFVTDPDGYKIELIQRAEDQAGVGLR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A7C9NWI5
|
['C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N', 'CC(=O)C=O']
|
[[158.82000000000002, 307.32800000000003, -2.2060999999999984, 6, 6, 9, 0, 0.6, 71.27440000000003, 0], [34.14, 72.063, -0.2257, 0, 2, 1, 0, 0.3333333333333333, 16.745, 0]]
|
24
|
dioxygenase
|
benzene
|
MTLALVCTSHSPLLEFNNPPPEVRTEVDRAFAQARQFIEDYDPDLVVSFAPDHYNGFFYKLMPSFCIGFEASGVGDFGSSAGRLDVPSALAEQMAQSVLDQGVDIAVSLEMEVDHGAVQPLEILLGGIATKPVIPIFVNSVAAPFAPMKRIRLLGEAVGTFLKNFDGNVLLLGSGGLSHDPPVPRLEAATGEQRKMLLGGRHPTAAARAVRQQRVIDTAKAFTRGEAGIMDLAPEWDRQLLDILASGELERLDAWTAKEMAATAGNSAHEVRTWVAAHNALKAAAGQYTVTSEYYRPIPEYIAGFAVTTAVPVHTTAGLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
C1BDZ9
|
['C(CC(=O)O)C(=O)/C=C\\C=C(/C(=O)O)\\O']
|
[[111.9, 214.17299999999997, 0.5029999999999999, 3, 4, 6, 0, 0.2222222222222222, 49.3644, 0]]
|
25
|
dioxygenase
|
benzene
|
MSLELHFAVSQFLYKKAELCDNYDWDAYIDLYDEDSEYHIPQWIDDHNYVQDPNQGLSYIYYEDRSGLEDRVFRIRTGKAASATPLPRTQHNIHNVQVKTLEDGLIEAKVSWRTLYNRQGLEGCFYGRATYVLRPTEDSFRIRRQHSVLLNDKIDSVLDFYHV
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
O85674
|
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
|
26
|
dioxygenase
|
benzene
|
MNKGVMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSLVLREADEPGMDFMGFKVVDEDALRQLERDLMAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGLNDVNPEAWPRDLKGMAAVRFDHALMYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDLLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTTDQLGKAIFYHDRILNERFMTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P06622
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
27
|
dioxygenase
|
benzene
|
MATHVAIIGNGVGGFTTAQALRAEGFEGRISLIGDEPHLPYDRPSLSKAVLDGSLERPPILAEADWYGEARIDMLTGPEVTALDVQTRTISLDDGTTLSADAIVIATGSRARTMALPGSQLPGVVTLRTYGDVQVLRDSWTSATRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTELGVQVELGTGVVGFSGEGQLEQVMASDGRSFVADSALICVGAEPADQLARQAGLACDRGVIVDHCGATLAKGYSPSEMWPVGAAAGGRRSLETYMNAQRQAAAVAAAILGKNVSAPQLPVSWTEIAGHRMQMAGDIEGPGDFVSRGMPGSGAALLFRLQERRIQAVVAVDAPRDFALATRLVEARAAIEPARLADLSNSMRDFVRANEGDLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P08087
|
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
|
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
|
28
|
dioxygenase
|
benzene
|
MNKGVMRPGHVQLRVLDMGKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLREADEPGMDFMGFKVVDEDSLNRLTDDLLNFGCLIENVAAGELKGCGRRVRFQAPSGHHFELYADKEYTGKWGVSEVNPEAWPRDLKGMAAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDADGIRLAQFLSLSTKAHDVAFIHHAEKGKFHHASFFLDTWEDVLRAADLISMTDTSIDIGPTRHGLTQGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P08127
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
29
|
dioxygenase
|
benzene
|
MATHVAIIGNGVGGFTTAQALRAEGFEGRISLIGDEPHLPYDRPSLSKAVLDGSLERPPILAEADWYGEARIDMLTGPEVTALDVQTRTISLDDGTTLSADAIVIATGSRARTMALPGSQLPGVVTLRTYGDVQVLRDSWTSATRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTELGVQVELGTGVVGFSGEGQLEQVMASDGRSFVADSALICVGAEPADQLARQAGLACDRGVIVDHCGATLAKGYSPSEMWPVGAAAGGRRSLETYMNAQRQAAAVAAAILGKNVSAPQLPVSWTEIAGHRMQMAGDIEGPGDFVSRGMPGSGAALLFRLQERRIQAVVAVDAPRDFALATRLVEARAAIEPARLADLSNSMRDFVRANEGDLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P08087
|
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
|
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
|
30
|
dioxygenase
|
benzene
|
MKKGVMRPGHVQLRVLNLESALAHYRDLLGLIEMDRDEQGRVYLKAWTEVDKFSVVLREADQPGMDFMGFKVIDEDCLNRLTQDLLNYGCLIETIPAGELKGCGRRVRFQTPSGHFFELYADKEYTGKWGLEEINPEAWPRNLKGMRAVRFDHCLLYGDELQATYALFTEVLGFYLAEQVIDDDGTRVAQFLSLSTKAHDVAFIHCPEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYQDHKPVTWLAKDLGKAIFYHDRVLNERFLTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P17262
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
31
|
dioxygenase
|
benzene
|
MNKGIMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLRERDEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHCLLYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRSEVFCGGNYSYPDHKPVTWLAKDLGKAIFYHDRVLNERFMTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P27887
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
32
|
dioxygenase
|
benzene
|
MTSIHEDTHIGYAKLTIRSLERSLQFYCNVIGFQVLKKTDRQAELTADGKRVLLILEENPSAVVLPERSVTGLYHFAILLPDRKELGIALARLIEHGIAIGHGDHAVSEALYLSDPDGNGIEMYADRPRSTWQRDREGNYVMTTTAVDIEGLLEEAGDERKTSLPNDTIIGHIHLHVSDLKEAKAFYTDVLGFDIVGNYAGMSALFVSAGGYHHHIGLNIWAGRNAPPKPTNASGLDYYTVVLPHQEELDLVANRVKHAGYSIEETENSFRVKDPVSGAYITFVI
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P54721
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
33
|
dioxygenase
|
benzene
|
MKKGVMRPGHVQLRVLNLEAALTHYRDLLGLIEMDRDEQGRVYLKAWSEVDKFSVVLREADQPGMDFMGFKVTDDACLTRLAGELLEFGCQVEEIPAGELKDCGRRVRFLAPSGHFFELYAEKEYTGKWGIEEVNPEAWPRDLKGMRAVRFDHCLMYGDELQATYELFTEVLGFYLAEQVIEDNGTRISQFLSLSTKAHDVAFIQHAEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTADQLGKAIFYHDRILNERFMTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q04285
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
34
|
dioxygenase
|
benzene
|
MSSSEQLDDGFTGLKVIAKTEIAQGIFRFELAHPQGMLLPAFTAGAHLRVRVPNGSIRNYSLSNDPQERERYVIAVKRDANGRGGSVSMADDIEAGDLLPVATPQNEFELIENARQFIFVAGGIGITPILSMMRHLKASTDLPFKLYYCTRNPELTAFRDELLGAEFANTVVIHHDFGNRADAYDFWPVFDKPSSGTHVYCCGPRPLMDSVLDMTGHWPPGSIHFESFGVDQSRFAENRPFSVTLGRSGIDLEIPVDRSILEVLRDNGIRAPSSCESGTCGSCRTRLIEGDVEHRDMVLREDEQHDQIMICVSRARNDVLVLDL
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q05182
|
['C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)O)C(=O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[115.06000000000002, 200.146, -1.2562000000000002, 4, 4, 2, 0, 0.25, 43.45120000000001, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
35
|
dioxygenase
|
benzene
|
MLTPEENLLLCRVEGDAPMGQMMRRHWTPVCLLEEVSEPDGTPVRARLFGEDLVVFRDTDGRVGVMDEYCPHRRVSLIYGRNENSGLRCLYHGWKMDVDGNVVEMVSEPAASNMCQKVKHTAYKTREWGGFVWAYMGPQDAIPEFVPPAWAPHEHVRVSIAKAIIPCNWAQILEGAIDSAHSSSLHSSDFVPARVGGAEATSKNWLRPSTDKAPRMQVERTSYGFRYAALRRPIQNAATSEYVRSTVFVAPATALIPPNNLYNVANINVPIDDTHTAFYFMAWGNPDNTPETETWRKFLGQQVGIDLDDSYRPLRNDGNRFFQDREAMKNGNFTGIKGFPNQDIAMWVTMGPIADRSDERLGASDLAVVEFRRVMLDALAAFQAGESAIGTGEKAIPSRICSFQAIVSKDIDWRDYQARYVWALDDANIVAEPDYEVHT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q05183
|
['C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)O)C(=O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[115.06000000000002, 200.146, -1.2562000000000002, 4, 4, 2, 0, 0.25, 43.45120000000001, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
36
|
dioxygenase
|
benzene
|
MNQTETTPIRVRKNWKTSEIETLFDEQAGRIDPRIYTDEDLYQLELERVFARSWLLLGHETHIRKPGDYFTTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRSDAGNAKAFTCSYHGWAYDTAGNLINVPYEAESFACLDKKEWSPLKARVETYKGLIFANWDENAIDLDTYLGEAKFYMDHMLDRTEAGTEVIPGIQKWVIPCNWKFAAEQFCSDMYHAGTTAHLSGIIAGLPEDLELADLAPPKFGKQYRASWGGHGSGFYIGDPNMMLAMMGPKVTSYLTEGPAAEKAAERLGSIERGTKIMLEHMTVFPTCSFLPGVNTIRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRTFSAGGVFEQDDGENWVEIQHILRGHKARSRPFNAEMSMGQTVDNDPIYPGRISNNVYSEEAARGLYAHWLKMMTSPDWEALKATR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q07944
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
37
|
dioxygenase
|
benzene
|
MIDSVNRADLFLRKPAPVALELQNEIEQFYYWEAKLLNDRRFDEWFALLAKDIHYFMPIRTTRIMRDSRLEYSGLRDYAHFDDDATMMKGRLRKITSDVSWSENPASRTRHIVSNVMIIPTEVEGEYEISSTFIVYRNRLERQLDIFAGERRDRLRRNKGEAGFEIVNRTILIDQSTILANNLSFFF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q07945
|
['C1=C[C@H]([C@H](C=C1)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[40.46, 112.12799999999997, -0.16580000000000006, 2, 2, 0, 0, 0.3333333333333333, 30.293599999999984, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
38
|
dioxygenase
|
benzene
|
MANHVAIIGNGVAGFTTAQALRAEGYEGRISLIGEEQHLPYDRPSLSKAVLDGSFEQPPRLAEADWYSEASIEMLTGSEVTDLDTQKKMISLNDGSTISADAIVIATGSRARMLSLPGSQLPGVVTLRTYGDVQLLRDSWTPNTRLLIVGGGLIGCEVATTARKLGLSVTILEAGDELLVRVLGRRIGAWLRGLLTEQGVQVELKTGVSGFSGEGQLEKVMVNDGRSFIADNALICVGADPADQLARQAGLECDRGVVVDHRGATSAKGIFAVGDVATWPLHSGGKRSLETYMNAQRQATAVAKAILGKEVSAPQLPVSWTEIAGHRMQMAGDIEGPGEYVLRGTLGIGSALLFRLLDGRIQAVVAVDAPRDFALANRLVEAQVIIEPEKLADVSNNMRDIVRANEGNQK
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q07946
|
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
|
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
|
39
|
dioxygenase
|
benzene
|
MTSDIVVIGGGVAGVTAAQSLRSEGYDGRLVLIGKERELPYDRTALSKAVLAGDLADPPLLFPADWYDEWQIETVLDRTVLQVDVTRREVLLDGGPWLKVDRVLLATGASARVPSFSGSDLPGVATLRTADDVHRMRRDWEPGQRLVVVGGGLIGCEVATTARKLGLEVSILEASDELLQRVLGRRIGGWCRARLMELGISVVLNTGVAEFKGVDRITTVIGTDGRSFVADRAIVCVGAEPETAIAEQSGLACNRGILVNDSGGTAAEGVFAAGDVASWPLLTGGRRSLETYINSQREATAVASAMLGKAVHGPQLPLSWTEMAGHRIQMIGDIEGSGEYVMRGDPDDGPALLFRLSDGRVTAAVSVDAPRDFAMATRLVERGAQVGREVLGDTSMELRELNRAARERALIAE
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q0S032
|
['C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O']
|
[[317.62, 665.4460000000001, -2.6863999999999955, 8, 18, 11, 2, 0.5238095238095238, 141.84660000000002, 0]]
|
40
|
dioxygenase
|
benzene
|
MTSLESSYLDVVAFIFREARLLDDRSWDEWLECYDPEAVFWMPCWDDADTLVDDPRKHVSLIYYSDRMGLEDRVFRLRSERSGASTPEPRTTHNIANVEILERTERQIEARFNWHTMNYRYKLLDHYFGTSFYTLKVSSSGLSILNKKVVLKNDLIHQVIDVYHV
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q51602
|
['C(=O)=O', 'C1=CC=C(C(=C1)O)O', '[Cl-]', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [0.0, 35.453, -2.996, 0, 0, 0, 0, 0.0, 0.0, -1], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
41
|
dioxygenase
|
benzene
|
MIDAESPTTAFRTKPAPVDPSLQHEIEQFYYWEAKLLNDRRFQEWFDLLAEDIHYFMPIRTTRIMRETAQEYSGAREYAHFDDNAQMMRGRLRKITSDVSWSENPASRTRHVISNVMIVDGEKPGEYHVSSVFIVYRNRLERQLDIFAGERKDILRRTGSEAGFELAKRTILIDQSTILSNNLSFFF
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q53123
|
['C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=C[C@@H]([C@@H](C(=C1)C2=CC=C(C=C2)Cl)O)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC=C(C=C1)C2=CC=C[C@@H]([C@@H]2O)O']
|
[[364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 222.671, 2.0150000000000006, 2, 2, 1, 1, 0.16666666666666666, 60.58260000000003, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [40.46, 188.22599999999997, 1.3616, 2, 2, 1, 1, 0.16666666666666666, 55.57260000000003, 0]]
|
42
|
dioxygenase
|
benzene
|
MHTTDTETFEEQFAIEQRLVDSVVASFDSTTDPRLKELMQSLTRHLHAFIREVRLSEDEWSNAIAFLTAVGNITDDRRQEFILLSDVLGVSMQTIAVSNPAYEDATESTVFGPFFVEDAPEVTLGGDIAGGATGQPCWIEGTVTDTAGNPVPEARIEVWQNDEDGFYDVQYSDGRVSGRAHLFSDAHGRYRFWGMTPVPYPIPSDGPVGKMLAATNRSPMRVAHLHFMVTADGLRTLVTHIFVAGDPQLERGDSVFGVKDSLIKDFVEQPPGTPTPDGRHIGDRNWARCEFDIVLAPEQI
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q6F4M7
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
|
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
|
43
|
dioxygenase
|
benzene
|
MSYQVTIEPIGTTIEVEEDQTILDAALRQGVWLPFACGHGTCGTCKVQVTDGFYDVGEASPFALMDIERDENKVLACCCKPQSDMVIEADVDEDPDFLGHLVQDYQATVIEIKDLSPTIKGIRLQLDRPIEFQAGQYINVQFPNIEGTRAFSIANSPSEVGIVELHIRKVEGGAATTYVHEQLATGDQLDISGPYGQFFVRKSDDQNAIFIAGGSGLSSPQSMILDLLESGDSRTIYLFQGARDLAELYNRELFEQLVKDYPNFRYIPALNAPKPEDQWTGFTGFVHEAVADYFENRCGGHKAYLCGPPIMIDSAISTLMQSRLFERDIHTERFLSAADGAAGQSRSALFKHI
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q7WTJ2
|
['CC1=C(C(=CC=C1)O)O', 'O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'CC1=CC(=C(C=C1)O)O', 'C1=CC=C(C(=C1)O)O']
|
[[40.46, 124.13899999999995, 1.4062199999999994, 2, 2, 0, 1, 0.14285714285714285, 34.508599999999994, 0], [31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 124.13899999999997, 1.4062199999999998, 2, 2, 0, 1, 0.14285714285714285, 34.508599999999994, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
|
44
|
dioxygenase
|
benzene
|
MTLEIKTSNVEPIRQNYAYIERRFGSKPATRYQEVSFDVQAETNFHYRPLWKPEKTLNDKTHTALQMQDWYAFKDPRQFYYGTYVQHRARLQDTAESNFAFFEKRQLAEHLSNEVKAKVIECLLPFRHVEQTANLHMMSGSAYGYGTVLTQACIYAAMDHLGIAQYISRIGLALDGNSGDSLQQAKQAWMQHPAWQGLRRLCEESLTEQDYFKLFLLQNLVIDGFVTELVYQQFDQWLVSQNARDLAMLTEFMKDTLGDLRKWSDTVIKTAAAESDHNKQLLNEWFTESLAQVKAAFTPWATAALTVDAVDQAEQAVIERAKKLGLQPLTNA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q7WTJ6
|
['O', 'C1=CC=C(C(=C1)O)O', 'C1=CC=C(C=C1)O', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N']
|
[[31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0], [20.23, 94.11299999999997, 1.3921999999999997, 1, 1, 0, 1, 0.0, 28.106799999999993, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1]]
|
45
|
dioxygenase
|
benzene
|
MENLTEDMKTWFEIYMLQNRYIGHLDNDRLERWPEMFTEDCTYEIVPKENADLGLPVGIVHCTNQRMLRDRVVSLRHANIYEEHTYRHMTSGLAIVAQRDGEIDTESNYVVVQTRSNGESNVYQAGKYYDTVVRTPDGLRYKAKRVIYDTSRVQTLLATPI
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q84BZ2
|
['C(=O)=O', 'N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N', 'C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N', 'C1=CC=C(C(=C1)O)O']
|
[[34.14, 44.009, -0.5835, 0, 2, 0, 0, 0.0, 5.007, 0], [35.0, 17.031, 0.16199999999999998, 1, 1, 0, 0, 0.0, 5.0221, 0], [318.25999999999993, 664.4380000000001, -3.0158999999999976, 8, 17, 11, 3, 0.47619047619047616, 139.37710000000013, 1], [364.78999999999996, 744.4170000000003, -2.898899999999998, 9, 18, 13, 3, 0.47619047619047616, 150.28740000000005, 1], [40.46, 110.11199999999997, 1.0977999999999994, 2, 2, 0, 1, 0.0, 29.771599999999992, 0]]
|
46
|
dioxygenase
|
benzene
|
MTTTTADHNISAQQKAVEENLVNRVLQSFDACENPRLKQLMESLVVHLHDFIRDVRLTEDEWNYAIDFLTAVGHITDDKRQEFVLLSDTLGASMQTIAVNNEAYENSTEATVFGPFFLDDAPEVELGGDIAGGAQGQAAWIEGTVTDTEGNPVPNARIEVWECDEDGLYDVQYADERMAGRAYMHTDANGDYRFWGLTPVPYPIPHDGPVGNMLKAVGRSPVRCAHLHFMVTAPELRTLVTHIFVEGDPQLEIGDSVFGVKDSLIKKFEEQAPGTPTPDGRDLGDQTWARTRFDIVLAPGA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q8NL92
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
|
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
|
47
|
dioxygenase
|
benzene
|
MTISAQQQAVEEDLVERVLASFDSCENPRLKLVMKSLTVHLHDFIRDVRLTEEEWNYAIDFLTKVGHITDDKRQEFVLLSDTLGASMQTIAVNNEAYEDATEATVFGPFFVDDAPLVQNGDDIAFGAVGQPAWVEGTVKDTEGNPIPNARIEVWECDEDGLYDVQYADERSAGRAHLYSDENGEYHFWGLTPVPYPIPHDGPVGQMLQAVGRSPVRCAHLHFMVTAPEKRTLVTHIFVEGDPQLEIGDSVFGVKDSLIKKFVEQPAGTATPDGRDVGDQTWARTRFDIVLAPGNV
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q8NR92
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\O', 'C(C(=O)/C=C\\C(=O)O)C(=O)O']
|
[[94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0], [91.67, 158.10899999999998, -0.32900000000000024, 2, 3, 4, 0, 0.16666666666666666, 34.03559999999999, 0]]
|
48
|
dioxygenase
|
benzene
|
MNRDTSPDLHYLSGFGNEFASEALPGALPVGQNSPQKAPYGLYAELLSGTAFTMTRSELRRTWLYRIRPSALHPRFERLARQPLTGPLGPITPNRLRWNPQPIPVEPTDFIEGWLPMVANAAAEKPAGVSIYIYRANRSMERVFFNADGELLLVPQQGRLRIATELGVMEVEPLEIAVIPRGMKFRVELLDGEARGYIAENHGAPLRIPDLGPIGSNGLANPRDFLTPVAHYEEADGPVQLVQKFLGEHWACELQHSPLDVVAWHGSNVPYKYDLRRFNTIGTVSFDHPDPSIFTVLTSPTSVHGMANMDFVIFPPRWMVAENTFRPPWFHRNLMNEFMGLINGAYDAKAEGFLPGGASLHGVMSAHGPDAETCEKAIAADLAPHKIDNTMAFMFETSQVLRPSLQALECPQLQADYDSCWATLPSTFNPNRR
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q307Q0
|
['C(C(=O)CC(=O)O)C(=O)/C=C\\C(=O)O']
|
[[108.74, 200.146, -0.3698000000000002, 2, 4, 6, 0, 0.25, 43.659600000000005, 0]]
|
49
|
dioxygenase
|
benzene
|
MKKGVMRPGHVQLRVLNLESALAHYRDLLGLIEMDRDEQGRVYLKAWTEVDKFSVVLREADQPGMDFMGFKVIDEDCLNRLTQDLLNYGCLIETIPAGELKGCGRRVRFQTPSGHFFELYADKEYTGKWGLEEINPEAWPRNLKGMRAVRFDHCLLYGDELQATYALFTEVLGFYLAEQVIDDDGTRVAQFLSLSTKAHDVAFIHCPEKGKFHHVSFFLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYQDHKPVTWLAKDLGKAIFYHDRVLNERFLTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
P17262
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
50
|
dioxygenase
|
benzene
|
MKTVINRILVDTAKIVEDLEITQDEFWKAVDYLNRLGGRHEAGLLIAGLGLEHYLDLLQDAKDEQEGLTGGTPRTIEGPLYVAGAPIAQGVTRMDDGSEDGVATPMFLQGRVTGPDGQPVAGAVVDLWHANTKGNYSYFDKSQSEYNLRRRIVTDENGYYRARSIVPSGYGCSPDGPTQELLDMLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDKYLWDDFAYATREGLVGDIRFVDDAEAARSRGVQGRFAEIDFDFQLQKAPAPHAEQRSQRPRALQQA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A0G2UE60
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
51
|
dioxygenase
|
benzene
|
MKKGVMRPGHIQLRVLNLESALAHYRDLLGLIEVDRDDFGRVYLKAWTEVDKFSLVLREADEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHALMYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFHLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRNEVFCGGDYNYPDHKPVTWTTDQLGKAIFYHDRILNERFMTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A0S2UNZ0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
52
|
dioxygenase
|
benzene
|
MTVKISQTAEIQKFFEEAAGYGNDNGSPRLKQIVLRVLQDTAKIIEDLEVTDDEFWTAVDYLNRLGGRGEAGLLVAGLGIEHFIDLLNDAKDAQIGKTGGTPRTIEGPLYVAGAPIVEGEARMDDGSEDGVATVMFLEGQVLDLDGKPIAGATVDLWHANTKGNYSYFDQSQSEYNLRRRIITDAEGRYRARSIVPSGYGCDPQGPTQECLDQLGRHGQRPAHIHFFISAPGYRHLTTQINLSGDQYLWDDFAYATRDGLVGEVKFAENVRGIDGRVAELEFSFQLQKAASAEDEQRSQRPRALQVQGA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A127MR49
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
53
|
dioxygenase
|
benzene
|
MTVKISRTAEIQTFFEEAAGLRNEQGNPRLKQIVLRILQDTARLVEDLEITDDEFWTAVDYLNRLGNRGEAGLLVAGLGIEHFLDLLSDARDAEAGRTGGTPRTIEGPLYVAGAPLSEGEARMDDGSDAGIPMFLAGRVLDLRGQPIAGATVDVWHANTKGLYSYFDPSQAEYNLRRRIRTDAQGCYRVRSIVPSGYGCPADGPTQQCLDQLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGEVNFVENAHGIAGRCAEVVFDFQLQPASEATDERRSQRPRALQVQGA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A5D2G1
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
54
|
dioxygenase
|
benzene
|
MTVKISQTAEIQKFFEEAAGYGNDNGSPRLKQIVLRVLQDTAKIIEDLEVTDDEFWTAVDYLNRLGGRGEAGLLVAGLGIEHFIDLLNDAKDAQIGKTGGTPRTIEGPLYVAGAPIVEGEARMDDGSEDGMATVMFLEGQVLDLDGKPIAGATVDLWHANTKGNYSYFDQSQSEYNLRRRIITDAEGRYRARSIVPSGYGCDPQGPTQECLDQLGRHGQRPAHIHFFISAPGYRHLTTQINLSGDQYLWDDFAYATRDGLVGEVKFAENVRGIDGRVAELEFSFQLQKAASAEDEQRSQRPRALQVQGA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A5D5D6
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
55
|
dioxygenase
|
benzene
|
MKTALATVTISGSLQEKLRAAAQAGFDGVEIFENDLTQFDGTARDLRLMAEDLGLEIIALQPFRDFEAMPEPWRTQNFYRAQRKFELMHELGTKRLLICSNVSPHVIDDRDRAAADLHELAELARQQDFIIGYEALAWGRHVADYDVAWDIIKRADHPNLGINLDTFHMFARGNTLDVLRDEIPIDKIALVQVADAPRLQMEVLHYSRHFRCFPGQGDLPVVEFVQCLKDKGFDDYLSHEIFNDEFRSSSPLEKAVDGMRSLIWLDEQTSATPAQAAALEPAAAPAPQPEITDVEFIEFAVEGDSGAELVALLQSLGFRETHRHRSKNVSLMRQGDINLVLNREPLSQAHEHYQAHGVSICALAFATTDLGAMLARTERYRSSRFANQAGPGELNIPAIRGIGDSLVYFVERPGKFRFFDIDFVALDDTGESSVGLQRIDHIGQTVSNTDFLSASFFYKSLFGFEVEASTDLPDIYGLVVSRVAKSRDGRVRIPLNMTAAREASAQRFIHKAKGSGVQQIAFACEDIFAAATAVGAEQLLPIPQNYYRDLDARFAPEPDVLARLRSLNILYDRNDDGEFFHFYTREAHGVFFEVVQRIGNYDRYGEANAHIRMASQARQYRRDEGL
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A9EV95
|
['O', 'C1=CC(=C(C=C1C(=O)O)O)O\nC1=CC(=C(C=C1C(=O)O)O)[O-]']
|
[[31.5, 18.015, -0.8247, 0, 0, 0, 0, 0.0, 3.6138, 0], [77.76, 154.12099999999998, 0.7959999999999998, 3, 3, 1, 1, 0.0, 36.7309, 0]]
|
56
|
dioxygenase
|
benzene
|
MRILHTMLRVTDLQKSISFYTELMGMRLLRRKDYPAGKFTLAFLGYGDEKDTTVLELTHNWDTSSYELGTAYGHIAIEVDDVYAACDSIKTRGGQVVREAGPMKGGTSILAFVKDPDGYMIELLDPKRLD
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A9F1F0
|
['C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N', 'CC(=O)C=O']
|
[[158.82000000000002, 307.32800000000003, -2.2060999999999984, 6, 6, 9, 0, 0.6, 71.27440000000003, 0], [34.14, 72.063, -0.2257, 0, 2, 1, 0, 0.3333333333333333, 16.745, 0]]
|
57
|
dioxygenase
|
benzene
|
MNKGIMRPGHVQLRVLDMSKALEHYVELLGLIEMDRDDQGRVYLKAWTEVDKFSVVLREADEPGMDFMGFKVVDEDALRQLERDLTAYGCAVEQLPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMAAVRFDHCLLYGDELPATYDLFTKVLGFYLAEQVLDENGTRVAQFLSLSTKAHDVAFIHHPEKGRLHHVSFYLETWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRSEVFCGGNYSYPDHKPVTWLAKDLGKAIFYHDRVLNERFMTVLT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q83U22
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
58
|
dioxygenase
|
benzene
|
MRKGVLRPGHVQIRVMDMQQALKHYVELVGLIQTHQDAQGRVYLKGWTETERFSVVLVEAAEPGMDFTGFKVIDEPTLARLSRDLVAFGCQVEQIPAGELDFCGRRVRFLAPTGHWIELYAEKEYTGRWGVREVNPEAWPRGLRGMRAMSFDHCQLHGGDLLQTRELFCDVLGFHLTEQIVNEEGRSVADWLSLSIKAHDIAFVDDGNVGAFHHAAFLLDTWEALLRAGDLLSMTDTSLDVGPTRHGITHGQSMYFFDPSGNRNEVFAGGDFHYPDQKPVTWLEKDLGKAIFYHSRVLNERFLTVMT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1A9KDU7
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
59
|
dioxygenase
|
benzene
|
MTVKISRTAEIQTFFEEAAGLRNEQGNPRLKQIVLRILQDTARLVEDLEITDDEFWTAVDYLNRLGNRGEAGLLVAGLGIEHFLDLLSDARDAEAGRTGGTPRTIEGPLYVAGAPLSEGEARMDDGSDAGIPMFLAGRVLDLRGQPIAGATVDVWHANTKGLYSYFDPSQAEYNLRRRIRTDAEGRYRARSIVPSGYGCPADGPTQQCLDQLGRHGQRPAHIHFFISAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGEVNFVENAHGIAGRCAEVVFDFQLQPASEATDERRSQRPRALQVQGA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
Q2QK77
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
60
|
dioxygenase
|
benzene
|
MGVLRIGHASLKVMDMAAALNHYEKVLGLKNMMTDKAGNVYLKCWDEWDKFSLILTPSDQAGLNHVAYKVEKDADLDALQKTIEAWGVKTTMLDEGALPSVGRMLQFNLPSGHEFRLYAHKEFVGTDVGSLNPDPWPDGVRGAGAHWLDHCLLMCEMNPEAGINTVAENTRFMTECLNFFLTEQVLVGPEANIQAATWMATTTTPHDIAFVGGPRSGLHHIAYFLDSWHDVLKAADIMAKNKVRIDVAPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWSEDKLGSGIFYHTGDLVPSFTDVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1D2SAB6
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
61
|
dioxygenase
|
benzene
|
MSMTGVLRPGHAQIRVLDLEESVKWYTDVMGLKPMGRDSQGRAYFKTRAERDHNSVILRQADHAGMDFFGFKVLDKATLDNLEKKLQAYGVATERVPAGDLLETGERVRFKIPTGHTIELYAEKTAVGSGVGCTNPDMDVIDQPGITPIRLDHCLIYGDDLDGARDLFVNVLGFTLVERVKLEDGKTDLAVWLTCSAKAHDIAIVRHSEKDKMHHVSFQLGTWEQVLRAADIMSKNRVSLDIGPTRHGITNGTTIYFFEPSGNRLETFSGGYDHYPDMEPITWTWDEVGAGIFYHDRKLNDAFLSVVT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1D2U9J9
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
62
|
dioxygenase
|
benzene
|
MAITGVLRPGHVAIRVLDMEAALNHYVNVLGLIEVARDEARKRVFLKAWDELDHHSVVLRETDEAGMDYMGWKVDSAATLERLAGDIERSGLCSDLGWVEAGEHPCTGRRFRFTIPTGHVMELYADKTVTGNNCGTDGPDVNPMPWPDGLRGIAPSRFDHCLLYGDDLDGTVKLFTEVLGFGLAEQVMAGPERNFMIGAFLSCANKAHDVAFIRQPVKGKFHHASFILNSWESVLRAADILSRNKTSIDMGPTRHGITRGETIYFFDPSGNRNEVFAGGYIYYPDKPTITWTDEELGPAIFYHDRKLNEAFLSVFT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1D2UIH3
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
63
|
dioxygenase
|
benzene
|
MTSDLVQSRAAQTLLDKVSGVLQEGGDPRVKQIVRRIVSDLYTVIDEFDVSPDEFWLTLGFLQNGAPEFGLIAPGLGFDHFLDMRMDEQDRRRGIETGTPRTIEGPLYVPGAPLAQGFARLDDGSDTGEVLVMHGCVRDAAGQPVADAVVDVWHANTLGNYSHFDTSQTPYNNRRRIRSGADGRYKFQSIVPSGYAVPPQGTTERLLGCIGRHGQRPAHIHFFVSAPGCRLLTTQINIDGDPYLHDDFALATRDGLIPAIVRHDDPESMQAEGLNTPYSEIEFDFTLTASVDPGDTGLHARPRVPALESAAA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1E4JFM0
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
64
|
dioxygenase
|
benzene
|
MALTGVLRPGYVQLRVLDLDEAIQHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMAFKVAKDADLDHFAERLLDMGVHVEIIPAGEDPGVGRKIRFNTPTAHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELLDEASGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFNLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYTYYPDNPRRMWQAENAGKAIFYYEKALNDRFMTVNT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1E4MB92
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
65
|
dioxygenase
|
benzene
|
MASQLVQESGVQSYLDRIAGVDEAGGDVRTKAIVRRIVSDLFTTIDDFDVTAEEFWHALHFLQEAAPEFGLIAPGLGFDHFLDIRMDRADKAAGIAGGTPRTIEGPLYVPGAPLAKSFARLDDGTDTGETLIMHGRVFDLDGKPVAGAIVDVWHANTKGGYSVFDPSQTAYNNRRRIETGADGSYKFRSIVPSGYSVPPQGGTDRLLSAIGRHGNRPAHIHFFVSAPGHRHLTTQININGDPYLHDDFAFATHDDLIPEIVRREEPEAIHAENLNGPFSEIAFDFVLHPAADTAETELMARHRAPAVAA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1E4MGZ1
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
66
|
dioxygenase
|
benzene
|
MGVMRIGHASLRVMDMVAAVRHYEKVLGLTTTMVDKAGNTYLKCWDEWDKYSLVLTPSDRAGLNHVAYKVEKDADLDTLRRRIEEWGVRTTMLPEGTLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTTNPDPWPDGIKGAGAHWLDHLLLMCEMNPPEGINTVADNTRFMTEALDFFLTEQVLVGPNGDMQAATWMTRTTTPHDIAFVGGPKSGLHHIAYFLDNWNDVLKAADVMAKNRTKIDVAPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWTEDQLGTGIFYHTGEMVASFTDVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1E4PEG5
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
67
|
dioxygenase
|
benzene
|
MSVKIFDRPDVQDFLKVLSGLANDSGNPRVKQIIHRLMSDLFKAIDDLDITPDEYWTAIAWVNEIGAAGQAGLISPGLGLDHFLDERLDAIDDALGIKNETPRTIEGPLYVAGAPVSQGFARLDDGTDANGHTLIMQGTVYGADGKPLPGASVEVWHCDTRGFYSHFDPTGKQAPFNMRRTIIADVNGCYKFRSIVPHGYGVPPGSPTEKLLSALGRHGQRPAHIHFFISADDHRKLTTQINIAGDPLVNDDFAYATRDGLVPEVTERTDEASIRANDLSGPFAEIEFDFRLTALVNGVDNQVNEQRKRAAA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1M3PHR2
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
68
|
dioxygenase
|
benzene
|
MNRQEIDTLVKQMNVDTATAEVDQRVQTIVVRLLGDLFQAIEDLDIQPSEVWKGLEYFTDAGQANELGLLAAGLGLEHYLDLRADEADAKAGISGGTPRTIEGPLYVAGAPESVGFARMDDGSESDKIDTLIIEGTVTDTDGNVIEGAKVEVWHANSLGNYSFFDKSQSDFNLRRTILADAEGKYVALTTMPVGYGCPPEGTTQFVLNKLGRHGNRPSHVHYFVSAPGFRKLTTQFNIEGDQYLWDDFAFATRDGLVATAIDVSDQAEIQGRGLDKPFKHITFNIELVKDAATAPSTEVDRRRASA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
N9LYV2
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
69
|
dioxygenase
|
benzene
|
MAMTGVLRPGHAQIRVLDLEESVQWYTNVMGLQPMGRDKQGRAYFKTRNERDHHSIILRQADQAGLDFFGYKVLDKATLDDLEKKLQAHGVKTERIPAGDLLETGERVRFQIPTGHTLELYAEKKDVGNGMGYTDPEVDVLDGPGIRPIRMDHALIYGGDIDGNVKLFTEVLGFTLVERVKLEDGTTDLAVWLTCSAKAHDIAMVRHAEDAKLHHVAFQMPSWESVLRAADIMSVNRVSIDIGPTRHGITQGTTIYFFDPSGNRLETFCGGYDHYPDMHPITWTWDEVGRGIFYHDRKLNDAFLSVVT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Q3R8E4
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
70
|
dioxygenase
|
benzene
|
MGVFRTGFVQLRVPDLAAASKYYSEVLGLVETDREADRVYFKGWDEHDHHSLIIRQDERPGLDCFALKAEGPEDLQQFENKLETKGIKVDRISTGERLAQGEGFSFEDRSGHRVVVYYTMKKVGNGLPLENPDPYPQGLKGIAAPRLDHLLMTTPNAAEDLDFYKDVFGFRLTEQVVTPDGNPIAIWLERSHTPHDIAFIPGRPGGFHHMAYWLDSWYEIGKAADVMAQHNVKIDAGPTRHGITRGHTIYFFDPCGNRNEVFTGGYVPDADNPPITWSVDKLWTGIFYWDRSERGSFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Q3TVJ9
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
71
|
dioxygenase
|
benzene
|
MAMTDVLRPGILQLRVLDLEEAIAHYRDRIGLDLVEVAPDGRAYLKAYDEFDRHSIVLRQADESGLDTVAFKVSSGTALDALALRLRNAGIATTTIPEGEQPGVGRRVRFAVPTGHRIELYATIALSDQGPMVTNPDLWRTEPRGMRVLRFDHCLLHGGDIEGTAKILTDVLGFATSEVAVTPDGQPIAIFLSCGMKAHDIALVRHHEDGKLHHVSFLLESWSDIGHAADLIAQHNISLDIGPTRHGATRGQTIYFFDPSGNRNEVFSGGYQFYPDNPTRTWTADQAGKAIFYYDKKLNDTFLSVVT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Q3V2X7
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
72
|
dioxygenase
|
benzene
|
MSMTGVLRPGHAQIRVLDLEESVKWYTDVMGLKPMGRDSQGRAYFKTRAERDHNSVILRQADHAGMDFFGFKVLDKATLDNLEKKLQAYGVATERVPAGDLLETGERVRFKIPTGHTIELYAEKTAVGSGVGCTNPDMDVIDQPGITPIRLDHCLIYGDDLDGARDLFVNVLGFTLVERVKLEDGKTDLAVWLTCSAKAHDIAIVRHSEKDKMHHVSFQLGTWEQVLRAADIMSKNRVSLDIGPTRHGITNGTTIYFFEPSGNRLETFSGGYDHYPDMEPITWTWDEVGAGIFYHDRKLNDAFLSVVT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1D2U9J9
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
73
|
dioxygenase
|
benzene
|
MGILRLAHIDVRTPDLDLATAYYTDVMGLQQVQRGSVDGADAVYFKCWDEEDHHSLRMRYNPRTGMDSFTFRVEAEDDLHDYEKKLADYGCQVSRVSRGEAVGQGESIRFEVPSGQIMELVWDIEKTGNILGKHNPAPVPPPDMPGIAPPRMDHMLVNAEEVGESARFFQDVLGLRLTEQVLDGNGHQLGVWLAGRTNSPHDIAIVNGPNGALHHWAYWLDDWDHIRKAADTLAYNGVQIDQGPTRHGVTRGNTIYFFDPLGIRNEVFTGGYWVDPDQEIITWTEQEFGKGLFYYENIVAQRFLRMHT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Q4E8R0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
74
|
dioxygenase
|
benzene
|
MTQLTQSPDIQGFLDQIAGADHASAGDERLKAIVRKIVSDLFETIDQFDVTDDEFWHALNFIAGGAPEFGLWAAGLGLEHFLDIRADLKDQAEGITQGTPRTIEGPLYVAGAPLLKAEARLDDGSDDGEVLIMHGQVRDVDGKPIANAIVDVWHANTKGNYSYFDKTQSDYNLRRRIETDAEGRYRFRSVLPSGYAVPGGSNIEKLLASVGRHGNRPAHVHFFISAHGYRHLTTQINIEGDPFVHDDFAYATKDELIPPVIRHSVASDIHAAGLNAPYAEIAFDFVLNPAEEQTDEQESSRARALQDA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A5E7ZNY5
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
75
|
dioxygenase
|
benzene
|
MEVTTPRVHNLHHVEVFTPKPNESLDFFTRVLGLHETHREGQSVYLRGAGEWARYSTILTEGPEPGLGHMAWQVAEPDQVEGWARRMKDVGVEHKLESGGSRFAQGDTLSFTGPFGHRTELFYDFERYVPAEPSKLLSQPVKFPNPGIGAKRLDHLNITARNVDEARDWYTDVLGFKLREAARTPDGDIGVWMSVTSQVHDLAIMRDGLGERGRLHHIAYYLDTPETLLRAADTFVEEGTPIDAGPGKHGLTQAFFIYVFEPGGNRVELFSGGYPIHGPDWEPIIWDGAAIEKAIVWYGGQLPDTFFTVAT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Q4EAS2
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
76
|
dioxygenase
|
benzene
|
MALTGVLRPGYVQVRVLDMEASLVHYRDRIGLDLVEMGADGRAYLKAPDEFDHHSIILREADEPGMDFMGFKVSSDEVLTALGRSLSDSGLSVEEVAAGEQPGLGRRLSFFAPTGHRFELFSSMELSSKGPMIENPDLWHDEPRGMKAQRFDHCLVYGIDIDATARIFVDLLGFQVAEKAVTPDGDTIAIFLSCGMKAHDLALVRFGEDAKLHHVSFRLESWHDIGHAADLMTRYDMSVDIGPTRHGITRGQTIYFFDPSGNRNEVFSGGYDFYPDNPVRQWTADQAGKAIFYYERALNDRFMTVVT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1W5YR16
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
77
|
dioxygenase
|
benzene
|
MGIMRIGHVSIKVMDMAAALKHYENVLGMKKMMADKHGNVYLKCWDEWDKYSLILTPSDQAGINHVAYKVEKDSDLDDLQRKIEAYGVTTTILEEGNLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTSNPDPWPDNIKGAGAHWLDHCLLMCEMNPETGVNKVAENTRFVVEVLDFFLTEQVLVGPNGDMQAATWLARTTTPHDIAFVAGPHMGLHHIAFFLDSWHDILKSADVMAKTKTKIDVPPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWDESHMGRGIFYHTGEMVASFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BBG0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
78
|
dioxygenase
|
benzene
|
MALTGVLRPGYVQLRVLDLEESILHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMGFKVAKDSDLDHFAERLLDAGVHVDVIPAGEEPGVGRKIRFNTPTGHMFDLFAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELVDEASGQRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFCLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYFYYPDNPRRMWQAENAGMAIFYYEKALNDRFMTVNT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BBW1
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
79
|
dioxygenase
|
benzene
|
MGIMRIGHINIRVMDMDAALKHYEKVIGMKITHKDAEGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGITTEFQPADTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQAIFYHARELNPAFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BC93
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
80
|
dioxygenase
|
benzene
|
MQLRVLDMGKALEHYIELLGLIEMDRDDQGRVYLKAWSEVDKFSVVLREADEPGMDFMGFKVVDEVSLQQLEQDLQAHGCSVEQVPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMSAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDAEGIRLAQFLSLSTKAHDVAFIQHAEKGKFHHASFLLDTWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BCA0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
81
|
dioxygenase
|
benzene
|
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKGIFYYGHKMVESFVSANT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BDK0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
82
|
dioxygenase
|
benzene
|
MGVMRIGHVNIRVMDMDAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDKYSLILSPADKAGINHVAYKVERDADLDAFKTRIEAYGIKTEFQPANTLPFVGRMLKFNLPSGHDMRLYAQKEFVNTDVGSINPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINMVEENTKFCMEVLDFYLSEQILVGPENAKAATWLFRTSTPHDLAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTTVDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHTRELTPSFTTVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BFL6
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
83
|
dioxygenase
|
benzene
|
MAVTGVLRPGHIVLRVLDLDEAIRHYTHVIGLFETGRDEQGRVFFKAWDENDHHSVVLREADSAGMDYFGWKVDSEKTLDELAAKLEASPLARDTLWLAPGEHLATGRRFQFTIPTGHRFELYATKEALGCMTGYENPDPWPDGLRGMAPSRFDHALLHGRDIDSTLELFRDILGFDLTERVVGPDGEFLIGIFLACSNKAHDVAFIRSEQDDRLHHASFILGGWHEVLQAADIISKRNVSLDIGPTRHGITRGETIYFFDPSGNRNEVFAGGYIWYPDRPTITWHDREIGRAIFYHDRKLNEAFLNVTT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BFS2
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
84
|
dioxygenase
|
benzene
|
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWAHEEVPKGIFYYGHRMVESFVTANT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BGU6
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
85
|
dioxygenase
|
benzene
|
MTGILRPGHVQLRVLELGPALHHYKEMIGLIETARDDEGRVYLKAWDEQDLFSIVLREAESPGMDFYGFKVRDEKTLEHYAKRLTDYGVAVERMPAGDLKGTGERVRFETPSGHLIELYAKKQHFGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMVGAFLACSNKAHDVAFIHEESKGRFHHVSFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKGIFYYGHKMVESFVTANT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BHB6
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
86
|
dioxygenase
|
benzene
|
MEHYIELLGLIEMDRDDQGRVYLKAWSEVDKFSVVLREADEPGMDFMGFKVVDEVSLQQLEQDLQAHGCSVEQVPAGELNSCGRRVRFQAPSGHHFELYADKEYTGKWGVNEVNPEAWPRDLKGMSAVRFDHCLLYGDELQATYELFTEVLGFYLAEQVVDAEGIRLAQFLSLSTKAHDVAFIQHAEKGKFHHASFLLDTWEDVLRAADLISMTDTSIDIGPTRHGLTHGKTIYFFDPSGNRCEVFCGGNYNYPDHKPVTWLAKDVGKAIFYHDRVLNERFMTVMT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BHS4
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
87
|
dioxygenase
|
benzene
|
MGIMRIGHVNIRVMDMGAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGIKTEFQPAGTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHARELNPAFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BIK2
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
88
|
dioxygenase
|
benzene
|
MALTGVIRPGYVQLRVLDLDEAIVHYRDRIGLNLVSVEDGRAFFQAFDEFDRHSIILREADTAGLDRMAFKVAKDSDLDHFAERLLDAGVHVDVIPAGEDPGVGRKIRFNTPTSHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVDVLDFSVTEELVDESTGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFNLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYIYYPDNPRRMWQAENAGKAIFYYEKALNERFMTVNT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BJ64
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
89
|
dioxygenase
|
benzene
|
MGIMRIGHINIRVMDMDAALKHYEKVVGMKTTHKDAKGNVYLKCWDEWDKYSLILSPADKAGVNHVAYKVEHDADLEALQKRIEAYGITTEFQPAGTLPFVGRMLKFNLPSGHDMRLYSQKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINKVEENTKFCMEVLDFYLSEQILVGPDKAKAATWLFRTSTPHDIAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTRIDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQAIFYHARELNPAFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BJJ3
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
90
|
dioxygenase
|
benzene
|
MAMTGILRPGHVQLRVMELGPALHHYKEMVGLIETARDAEGRVYLKAWDEHDLFSIVLREADRPGMDFYGFKVLDTKALEHYAKRLTDYGVAIERIPAGELKGTGERVRFETPSGHLIELYAEKQRVGNGLPDVNPDVWPDGLKGMHPTRFDHCLLNGDSIPETVRLFQEVLDFDLTERIVGPDGSMVGAFLSCSDKAHDVAFIHEDSKGRLHHVSFYLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPVITWTHEETPKGIFYYGHKMVESFVTANT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BJM1
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
91
|
dioxygenase
|
benzene
|
MAMTGILRPGHVQLRVMELGPALHHYKEMIGLIETARDAEGRVYLKAWDEQDLFSVVLREADRPGMDFYGFKVLDAKTLEHYAKRLTDYGVSIERIPAGELKGTGERVRFETPSGHLIELYAQKDHVGNGLPDVNPDVWPDGLKGMHPSRFDHCLLNGDSIPQTAKLFQEVLDFDLSERIVGPDGSMTGAFLACSNKAHDVAFIHEESKGRFHHISFHLESWDEIRHAADIMSKNYIPVEYGPGRHGLTRGLTIYFFDPSGNRNETFHGGYIRYPDHPLLTWTHEEVPKSIFYYGHKMVESFVSANT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BJS0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
92
|
dioxygenase
|
benzene
|
MGVMRIGHVALRVMDMEAALKHYENVVGMKVTHKDDQGNVYLKCWDEWDKYSVILSLADHAGMNHVAYKVESDQDLDVFRTAIEAKGVKTEFLKENSLPFVGRMLKFNLPSGHDMRLYAQKECVDTDVGSTNPDPWPDDLRGAGSHWLDHVLLMCELNPEKGINKVEENTRFFKEALGFFQTEQILVGPGGSIQLSSFLSCSSKPHDIAFVGGDRPGLHHVSFFLDSWHDILKAGDVMAKNRTRIDVPPTRHGLTRGETIYFFDPSGNRNETFAGLGYQAQPDKPVITWTEDQAARGIFYHTGVLEESFTNVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BLQ4
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
93
|
dioxygenase
|
benzene
|
MGVMRIGHVNIRVMDMDAALKHYEKVVGMKTTHKDAEGNVYLKCWDEWDRYSLILSPADKAGINHVAYKVERDADLDAFKTRIEAYGIKTEFQPANTLPFVGRMLKFNLPSGHDMRLYAKKEFVNTDVGSTNPDPWPDDIKGTGAHWLDHCLLMCEMNPEKGINMVEENTKFCMEVLDFYLSEQILVGPENAKAATWLFRTSTPHDLAFVGGPINGLHHIAFFLDNWNDILKAADIMSKNKTTVDVTPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQPDRPVTTWDESHLGQGIFYHTRELTPSFTTVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BNI0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
94
|
dioxygenase
|
benzene
|
MGIMRIGHVSIKVMDMAAALRHYENVLGMKKMMADKHGNVYLKCWDEWDKYSLILTPSDQAGINHVAYKVEKDSDLDDLQRKIEAYGVTTTILEEGNLPSTGRMLQFNLPSGHEMRLYAMKEYVGTEVGTSNPDPWPDNIKGAGAHWLDHCLLMCEMNPETGVNKVAENTRFVVEVLDFFLTEQVLVGPNGDMQAATWLARTTTPHDIAFVAGPHMGLHHIAFFLDSWHDILKSADVMAKTKTKIDVPPTRHGITRGETIYFFDPSGNRNETFAGLGYLAQRDRPVTTWDESHMGRGIFYHTGEMVASFTEVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BNI5
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
95
|
dioxygenase
|
benzene
|
MGVMRIGHVALRVMDMEAALKHYENVVGMKVTHKDDKGNVYLKCWDEWDKYSVILSLADHAGMNHVAYKVESDQDLDVFRTAIEAKGVKTEFLKENSLPFVGRMLKFNLPSGHDMRLYAQKECVDTDVGSTNPDPWPDDLRGAGSHWLDHVLLMCELNPEKGINKVQENTQFFKEVLGFFQTEQIMVGPGGSIQVASFLSCSSKPHDIAFVGGDRSGLHHVSFFLDSWHDILKAGDIMAKNRTRIDVPPTRHGLTRGETIYFFDPSGNRNETFAGLGYQAQPDKPVITWTEDQAARGIFYHTGVLEESFTNVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BPM5
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
96
|
dioxygenase
|
benzene
|
MALTGVLRPGYVQLRVLDLDEAIQHYRDRIGLNLVSVEGGRAFFQAFDEFDRHSIILREADSAGLDRMAFKVAKDADLDHFAERLLDMGVHVDIIPAGEDPGVGRKIRFNTPTAHVFDLYAEMELSETGPAVRNPDVWIAEPRGMRATRFDHCALNGVDISASAKIFVEALDFSVTEELLDEASGTRLGIFLSCSNKAHDVAFLGYPEDGRIHHTSFFLESWHDVGHAADIISRYDISLDIGPTRHGITRGQTIYFFDPSGNRNETFSGGYTYYPDNPRRMWQAENAGKAIFYYEKALNDRFMTVNT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A1Y0BQV0
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
97
|
dioxygenase
|
benzene
|
MSVKVFDTKEVQDLLKAASNAGGDGGNARTQQVVLRLLGDLFKAIDDLDITPDEVWAGVNYLNKLGQDGEAALLAAGLGLEKFLDIRMDAEDKALGLDGGTPRTIEGPLYVAGAPVRDGVAKIDLDADDGAGPLVIHGTVTGVDGKPVAGALVECWHANSHGFYSHFDPTGKQSDFNLRGAVKTGADGKYEFRTLMPVGYGCPPQGATQQLLDGLGRHGNRPAHVHFFVTSDGHRKLTTQFNIDGDPLIWDDFAYATREELIPPVTDKTGGAALGMKADAYQDIAFDFVLTPRVQGKDNQIVERLRASAAA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6P2GD56
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
98
|
dioxygenase
|
benzene
|
MNKQAIDALLKTFDDAAEKPGNPRVRAIVNRIVKDICYTIEDFDVQPSEFWTALNYLNEAGREFGLIAAGLGLERFLDVRMDEAEEKAGIQGGTPRTIEGPLYVAGAPESVGHARLDDGTDPGQTLIMRGQVLGNDGAPIANALVEVWHANHLGNYSYFDQSQPAFNLRRSIRTDAEGRYSFRSVLPVGYSVPPGSKTEQLLDQLGRHGHRPAHIHFFVSADGYRKLTTQINIEGDPHIWDDFAFATREGLIPQIKQAEGAEGKPYGVDGQFALIDFDFSLLKDKQDVPASDVERARAQA
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A2A4CBU8
|
['C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl', 'C(=C(\\Cl)/C(=O)O)(\\Cl)/C(=C(/Cl)\\C(=O)O)/Cl', 'C/C(=C/C(=O)O)/C=C\\C(=O)O', 'C(=C\\C(=O)O)\\C=C/C(=O)O']
|
[[74.6, 176.55499999999998, 0.8345, 2, 2, 3, 0, 0.0, 38.3476, 0], [74.6, 279.89, 2.534, 2, 2, 3, 0, 0.0, 52.73559999999999, 0], [74.6, 156.13699999999997, 0.6581, 2, 2, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.6, 142.10999999999999, 0.268, 2, 2, 3, 0, 0.0, 33.551599999999986, 0]]
|
99
|
dioxygenase
|
benzene
|
MGVMRIGHVSLKVMDMEAALRHYVRVLGMQETMRDAAGNVYLKCWDEWDKYSLILSPSDQAGLKHAAYKVEHDADLDALQQRIEAYGIATEMLPEGALPAVGRQLRFLLPSGHELRLFAQKELVGTAVGSLNPDPWPDDIPGSAVHWLDHCLLMCELNPETGVNRVEENTRFMAECLDFHLAEQVMVGPGNTIQAATWMFRSTTPHDIAFVGGPRNGLHHIAFFLDDWADVLKSADVMAKNKVKIDVAPTRHGITRGTTIYFFDPSGNRNETFAGLGYLAQPDRPVTTWTEEELGRGIFFHSGELNEAFTTVYT
|
[0.0, 78.11399999999999, 1.6866, 0, 0, 0, 1, 0.0, 26.441999999999993, 0]
|
C1=CC=CC=C1
|
A0A6P2G2Q7
|
['C(=C/C(=O)C(=O)O)\\C(=C\\O)\\Cl', 'C=CC(=O)/C=C/C=C(/C(=O)O)\\O', 'C(=C/C(=O)C(=O)O)\\C=C\\O', 'C/C(=C\\O)/C=C/C(=O)C(=O)O', 'CC(=O)/C=C\\C=C(/C(=O)O)\\O', 'OS(=O)O', 'C(=C\\C(=O)O)\\C=C(/C(=O)O)\\O']
|
[[74.60000000000001, 176.55499999999998, 0.8345, 2, 3, 3, 0, 0.0, 38.3476, 0], [74.60000000000001, 168.14799999999997, 0.8242, 2, 3, 4, 0, 0.0, 42.6916, 0], [74.60000000000001, 142.10999999999999, 0.2679999999999999, 2, 3, 3, 0, 0.0, 33.551599999999986, 0], [74.6, 156.137, 0.6581, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [74.60000000000001, 156.137, 0.6580999999999999, 2, 3, 3, 0, 0.14285714285714285, 38.16859999999999, 0], [57.53, 82.07999999999998, -0.3189, 2, 1, 0, 0, 0.0, 13.4, 0], [94.83, 158.10899999999998, 0.15370000000000006, 3, 3, 3, 0, 0.0, 35.12339999999999, 0]]
|
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