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36 SMILES Strings for M.SssI methyltransferase

Compound NameSMILES String
BDBM50059989 Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50070942 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
BDBM50163744 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
BDBM50180789 Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
BDBM50180790 OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
BDBM50389481 CC(=O)OCc1cnc(=O)[nH]c1NCc1ccccc1
BDBM50389482 O=c1nccc(NCc2ccco2)[nH]1
BDBM50389483 CCC=Nc1ccnc(=O)[nH]1 |w:3.3|
BDBM50389484 CCNc1cc[nH]c(=O)n1
BDBM50389485 CCCCNc1ccnc(=O)[nH]1
BDBM50389486 CC=Nc1ccnc(=O)[nH]1 |w:1.0|
BDBM50389487 O=C1NCNC(NCc2ccco2)=N1 |c:13|
BDBM50389488 Cc1cnc(=O)[nH]c1NCc1ccccc1
BDBM50389489 O=C1NCNC(NCc2ccccc2)=N1 |c:14|
BDBM50389490 O=Cc1cnc(=O)[nH]c1NCc1ccccc1
BDBM50389491 OS(=O)(=O)Cc1cnc(=O)[nH]c1NCc1ccccc1
BDBM50389492 OCc1cnc(=O)[nH]c1NCc1ccccc1
BDBM50389493 O=c1nccc(NCc2cccnc2)[nH]1
BDBM50389494 Cc1ccc(CNc2ccnc(=O)[nH]2)cc1
BDBM50389495 O=c1nccc(NCc2ccccc2)[nH]1
BDBM50389496 Cc1ccc(cc1)S(=O)(=O)Nc1ccnc(=O)[nH]1
BDBM50389497 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
BDBM50389498 Cc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389499 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NCc1ccco1 |r|
BDBM50389500 CCCCNCc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389501 O=Cc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389502 OS(=O)(=O)Cc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389503 CC(=O)OCc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389504 OCc1cnc(=O)[nH]c1NCc1ccco1
BDBM50389505 OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(NCc2ccco2)nc1=O |r|
BDBM50389506 CCCC=Nc1ccnc(=O)[nH]1 |w:4.4|
BDBM50389507 [O-][N+](=O)c1ccccc1CNc1ccnc(=O)[nH]1
BDBM50389508 Nc1ncnc(=O)[nH]1
BDBM50389509 OCc1ccc(CNc2ccnc(=O)[nH]2)o1
BDBM50384789 CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O |(18.51,2.43,;18.52,.89,;19.87,.13,;17.2,.1,;17.22,-1.44,;15.9,-2.22,;15.92,-3.76,;17.26,-4.52,;17.28,-6.06,;15.95,-6.84,;15.96,-8.38,;14.61,-6.08,;14.6,-4.54,;13.29,-6.86,;13.31,-8.42,;14.64,-9.18,;11.96,-9.2,;11.97,-10.74,;10.62,-8.43,;9.28,-9.21,;9.28,-10.75,;7.94,-8.44,;6.6,-9.21,;5.27,-8.44,;3.93,-9.21,;5.27,-6.89,;3.93,-6.12,;2.6,-6.89,;3.93,-4.59,;6.59,-6.12,;6.59,-4.59,;5.26,-3.82,;7.92,-3.81,;7.93,-6.89,;9.26,-6.1,;9.26,-4.56,;10.61,-6.88,;11.95,-6.09,;11.93,-4.56,)|