Search is not available for this dataset
SMILES
stringlengths 42
229
| ROWNUM
int64 1
2.44M
| id
stringlengths 12
12
| inchikey
stringlengths 27
27
| smiles
stringlengths 42
229
| scaffold
stringlengths 16
157
| mwt
float64 322
1.49k
| clogp
float64 -1.47
17
| tpsa
float64 32.3
357
| is_train
bool 2
classes | is_test
bool 2
classes | is_validation
bool 2
classes |
|---|---|---|---|---|---|---|---|---|---|---|---|
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1C
| 7 |
SCB-35668107
|
VJWLXHGDAUUFLV-IFCRBQRSSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cnc(OC)c(C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccsc1
| 680.203094 | 5.30186 | 127.37 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)OCO5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 16 |
SCB-32909894
|
KNGFZDNBJKBTJM-ATHJZCLJSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3ccc4c(c3)OCO4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1ccsc1
| 679.171459 | 5.31854 | 123.71 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cnn(C(C)(C)C)c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 24 |
SCB-16590412
|
SGENRQKNWAAVNP-KTOPPTEMSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cnn(C(C)(C)C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1ccsc1
| 681.234728 | 5.54134 | 123.07 | false | true | false |
CCOc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)[C@H](C)Oc1cccc(C#N)c1)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 30 |
SCB-62389180
|
RZVLNVDIZKMLOH-ZVRVOMOASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](C)Oc2cccc(C#N)c2)Oc2cc(-c3cccnc3OCC)ccc2S1(=O)=O
|
O=C(COc1ccccc1)NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1
| 681.275809 | 4.07718 | 160.39 | false | true | false |
C[C@H](Oc1cccc(C#N)c1)C(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 37 |
SCB-62501607
|
NHGSXMJCIOZULG-KRQRAZMHSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](C)Oc2cccc(C#N)c2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
|
O=C(COc1ccccc1)NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1
| 638.244843 | 3.07348 | 164.05 | false | true | false |
C[C@H](Oc1cccc(C#N)c1)C(=O)N(C)C[C@@H]1Oc2cc(-c3cnc(N(C)C)c(Cl)c3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 38 |
SCB-67890047
|
FPZKACXRXIAUMN-LATHJQSWSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](C)Oc2cccc(C#N)c2)Oc2cc(-c3cnc(N(C)C)c(Cl)c3)ccc2S1(=O)=O
|
O=C(COc1ccccc1)NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1
| 714.252821 | 4.39788 | 154.4 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 41 |
SCB-10897574
|
CBBZHSKPIBXVNN-ZSXUVKRYSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(Br)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccccc2O1)c1coc(C2CC2)n1
| 614.133557 | 3.52742 | 131.28 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc4ccccc4c3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 45 |
SCB-24469179
|
RODBAYBQFMAJOC-UCJOTKOBSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4ccccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1coc(C2CC2)n1
| 662.269995 | 5.58512 | 131.28 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 48 |
SCB-23603736
|
GOWKHZWDJZKCGQ-UTEYOOKCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1coc(C2CC2)n1
| 692.22533 | 4.75342 | 149.74 | false | true | false |
C[C@@H]1Cc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3ccnc(-c5ncc[nH]5)c3)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)ccc2O1
| 67 |
SCB-39880964
|
VHINFQAMUUNTHC-UYYWRMMMSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3ccc4c(c3)C[C@@H](C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 690.276143 | 4.3666 | 156.05 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cnc(N)nc4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 85 |
SCB-79149613
|
GAWLZDQSZYGZHH-XBRKBUGBSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cnc(N)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccsc1
| 652.183027 | 3.96204 | 157.05 | false | true | false |
COc1cccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3c(Cl)sc(C)c3C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)oc12
| 87 |
SCB-48238375
|
RYZLUWPESBLNGL-PPAYPMIZSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cc4cccc(OC)c4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1ccsc1
| 705.187109 | 6.34464 | 127.62 | false | true | false |
COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 92 |
SCB-37583252
|
BHQNFTFJTMFCFU-MHBJRQOHSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3ccc(OC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccsc1
| 666.187443 | 4.99344 | 127.37 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5ccc(O)cc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 97 |
SCB-10618928
|
BDBANPOPEAJGIL-BWFVCJISSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3ccc4ccc(O)cc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1ccsc1
| 701.192194 | 6.44864 | 125.48 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 101 |
SCB-24122452
|
WIRLLMCFYOIJMB-RGUQKJACSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cnc(OC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccsc1
| 667.182692 | 4.38844 | 140.26 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cc5ccccc5o4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 107 |
SCB-44094427
|
JUGRDUINQLIEKW-PPAYPMIZSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cc4ccccc4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1ccsc1
| 675.176544 | 6.33604 | 118.39 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cn(C)nc4C(C)C)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 112 |
SCB-96989473
|
WRHRBOQZGLSRRK-FLSZWWHYSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cn(C)nc3C(C)C)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1ccsc1
| 681.234728 | 5.44674 | 123.07 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2nc(C4CC4)oc2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1Cl
| 121 |
SCB-14481477
|
RREIHDNZFYLEQZ-OFRHROFRSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cnc(OC)c(Cl)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 677.221186 | 4.48892 | 153.4 | false | true | false |
COc1ncc(Cl)cc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1nc(C3CC3)oc1C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 137 |
SCB-45269419
|
MEPBWVWYTMDIBF-OFRHROFRSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cc(Cl)cnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 677.221186 | 4.48892 | 153.4 | false | true | false |
CCN(CC)c1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccnc(-c4ncc[nH]4)c2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 145 |
SCB-10602878
|
QCTYBYSBBRDXBT-KAYAYVMVSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnc(N(CC)CC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 707.313925 | 3.6794 | 175.84 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccnc(-c4ncc[nH]4)c2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1C
| 162 |
SCB-62275433
|
UGEQQRYZCJWGFU-PCUVQTBNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnc(OC)c(C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 679.271392 | 3.75522 | 168.94 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)CC(C)(C)O5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 173 |
SCB-49255479
|
CNBRQAZBTJYJAR-YISQGDGHSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1ccsc1
| 705.223495 | 6.30334 | 114.48 | false | true | false |
COc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1c(Cl)sc(C)c1C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 177 |
SCB-35068309
|
CYLGGYVEFYDXTH-MHBJRQOHSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cccnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccsc1
| 666.187443 | 4.99344 | 127.37 | false | true | false |
CCOc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1c(Cl)sc(C)c1C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 182 |
SCB-16893623
|
QVUUHKKWEFTGBV-IFCRBQRSSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cccnc3OCC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccsc1
| 680.203094 | 5.38354 | 127.37 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cncnc4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 188 |
SCB-23946083
|
PPSGBBWEBLDLLP-RGUQKJACSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccsc1
| 637.172128 | 4.37984 | 131.03 | false | true | false |
Cc1sc(Cl)c(C(=O)N(C)C[C@@H]2Oc3cc(-c4cnc(N(C)C)c(Cl)c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c1C
| 189 |
SCB-20349417
|
VOUBHDKHOAAWRL-CDJSKCLZSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2c(Cl)sc(C)c2C)Oc2cc(-c3cnc(N(C)C)c(Cl)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccsc1
| 713.180106 | 5.70424 | 121.38 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc6ccccc6c5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 195 |
SCB-11470973
|
PTWRHFDRCJFNNE-KHLFJZJQSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4ccccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1cn2ccccc2n1
| 671.270329 | 5.36742 | 122.55 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc(F)nc3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 207 |
SCB-78529376
|
NXXBUUAPYHFSCT-BHAUDNIFSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc(F)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 631.240172 | 3.96602 | 144.17 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 213 |
SCB-10897574
|
CBBZHSKPIBXVNN-ZSXUVKRYSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(Br)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccccc2O1)c1coc(C2CC2)n1
| 614.133557 | 3.52742 | 131.28 | false | true | false |
COc1ccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3nc(C5CC5)oc3C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)ccc2c1
| 217 |
SCB-14389374
|
HYOHBJGFZDYRMD-WSYGLWAPSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4cc(OC)ccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1coc(C2CC2)n1
| 692.28056 | 5.59372 | 140.51 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 228 |
SCB-89673146
|
XUYCZPJMIDRXCZ-QDKNSIIBSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3ccc4c(c3)OCO4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 678.239757 | 3.7719 | 165.28 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cnn(C(C)(C)C)c3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 236 |
SCB-69815958
|
ZUPFTUGZAWDJAU-PAFKHUKESA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnn(C(C)(C)C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 680.303026 | 3.9947 | 164.64 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cnc(N)nc3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 241 |
SCB-85427375
|
GGGRJWBZBITJJJ-YXUSKMJXSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnc(N)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 651.251325 | 2.4154 | 198.62 | false | true | false |
COc1cccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3ccnc(-c5ncc[nH]5)c3)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)oc12
| 243 |
SCB-72288204
|
ZYUCMNMOHVDIRV-MMCYDQBESA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cc4cccc(OC)c4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 704.255407 | 4.798 | 169.19 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3ccc4ccc(O)cc4c3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 252 |
SCB-44860374
|
PFPJPCFNBOEAJX-HOUXCKBDSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3ccc4ccc(O)cc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 700.260493 | 4.902 | 167.05 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc6c(c5)OC(F)(F)O6)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 254 |
SCB-82854553
|
DGBZFGPUMAEQTJ-CWANXHSBSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1cn2ccccc2n1
| 701.225665 | 4.53572 | 141.01 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2cn4c(C)cccc4n2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1Cl
| 272 |
SCB-47602101
|
UYDLELWWQUOYMD-GYOSZSIYSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnc(OC)c(Cl)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cn2ccccc2n1
| 686.22152 | 4.27122 | 144.67 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc4c(c3)C[C@@H](C)O4)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 286 |
SCB-35770462
|
IDALIRZBAPXHOT-RUDXGTEFSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4c(c3)C[C@@H](C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1coc(C2CC2)n1
| 668.28056 | 4.75532 | 140.51 | false | true | false |
CCN(CC)c1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2nc(C4CC4)oc2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 308 |
SCB-47067367
|
LRGLKBORDMGTAW-XUWCWRIASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cnc(N(CC)CC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1coc(C2CC2)n1
| 685.318342 | 4.06812 | 160.3 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccnc(-c4ncc[nH]4)c2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 311 |
SCB-10620216
|
ZIPNOPTZFCMQEA-XPRIDBIQSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnc(OC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 666.250991 | 2.8418 | 181.83 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 318 |
SCB-62312990
|
DBINBDIGKVLOTQ-MMCYDQBESA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cc4ccccc4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 674.244843 | 4.7894 | 159.96 | false | true | false |
CC(C)c1nn(C)cc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccnc(-c3ncc[nH]3)c1)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 324 |
SCB-75177816
|
WFMUVWXPCHOAJT-SLLNFBSNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cn(C)nc3C(C)C)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 680.303026 | 3.9001 | 164.64 | false | true | false |
COc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccnc(-c3ncc[nH]3)c1)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 333 |
SCB-92032372
|
TUKDCSINJJAXGG-NTAOGDFUSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cccnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 665.255742 | 3.4468 | 168.94 | false | true | false |
COc1ncc(Cl)cc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cn3c(C)cccc3n1)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 344 |
SCB-85765133
|
AWYSUMONHDFOCU-GYOSZSIYSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cc(Cl)cnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cn2ccccc2n1
| 686.22152 | 4.27122 | 144.67 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 359 |
SCB-96992699
|
UIVKGBRKWZBYDP-HBFBRORUSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc(F)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cn2ccccc2n1
| 640.240506 | 3.74832 | 135.44 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2nc(C4CC4)oc2C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1C
| 380 |
SCB-24722389
|
CEJCKLZDRKRVEO-LIASRPJNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cnc(OC)c(C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 657.275809 | 4.14394 | 153.4 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc4c(c3)OCO4)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 389 |
SCB-38690619
|
MJTHXEXSURNVAP-UPHVSBDRSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4c(c3)OCO4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1coc(C2CC2)n1
| 656.244174 | 4.16062 | 149.74 | false | true | false |
CCOc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccnc(-c3ncc[nH]3)c1)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 393 |
SCB-14921999
|
WPGVPDWWRJMXID-PCUVQTBNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cccnc3OCC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 679.271392 | 3.8369 | 168.94 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 400 |
SCB-11380775
|
XBDPOBWSFWXHKA-XPRIDBIQSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 636.240426 | 2.8332 | 172.6 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cnc(N(C)C)c(Cl)c3)cc2O[C@H]1CN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
| 401 |
SCB-30510988
|
IPQZJIUKDCVPHL-XEVIXLGFSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccnc(-c3ncc[nH]3)c2)Oc2cc(-c3cnc(N(C)C)c(Cl)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1ccnc(-c2ncc[nH]2)c1
| 712.248404 | 4.1576 | 162.95 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 404 |
SCB-10650704
|
DOPAUSOVHNYVOP-SANKOKGCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(Br)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccccc2O1)c1cncnc1
| 638.14479 | 2.49712 | 143.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5ccccc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 408 |
SCB-31480878
|
FOCPNYMONVKYJB-SGTLKJFTSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4ccccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1cncnc1
| 686.281228 | 4.55482 | 143.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)OC(F)(F)O5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 411 |
SCB-37873141
|
MCCJNIJMCDLULG-SINVQFLNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1cncnc1
| 716.236564 | 3.72312 | 161.52 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(Br)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 421 |
SCB-51893469
|
GIGDGORJQDGJRJ-BXVXLYCQSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(Br)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccccc2O1)c1cn2ccccc2n1
| 623.133891 | 3.30972 | 122.55 | false | true | false |
COc1ccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3cn5c(C)cccc5n3)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)ccc2c1
| 425 |
SCB-15254464
|
HWOYMKVFVQHHRN-FPYCOYKWSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4cc(OC)ccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1cn2ccccc2n1
| 701.280894 | 5.37602 | 131.78 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc6c(c5)C[C@@H](C)O6)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 438 |
SCB-32779047
|
LJNYNXGXCJCFSC-TVVAYFBDSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4c(c3)C[C@@H](C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1cn2ccccc2n1
| 677.280894 | 4.53762 | 131.78 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)[C@@H]2CCC(=O)c4cccn42)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1C
| 458 |
SCB-23530325
|
CRYCVFKLPNQJEM-ZPRHOWMZSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cnc(OC)c(C)c3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cccnc4)cc3O2)n2cccc21
| 669.275809 | 3.67562 | 149.37 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)c2cccn21
| 468 |
SCB-70074566
|
YEXCDTQWBSZOHX-WPNXIBTGSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3ccc4c(c3)OCO4)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4ccc5c(c4)OCO5)cc3O2)n2cccc21
| 668.244174 | 3.6923 | 145.71 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cnn(C(C)(C)C)c3)cc2O[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)c2cccn21
| 476 |
SCB-75098751
|
SVBFFDNCMDALIV-WPTVMFMASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cnn(C(C)(C)C)c3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cn[nH]c4)cc3O2)n2cccc21
| 670.307443 | 3.9151 | 145.07 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cnc(OC)c(Cl)c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 484 |
SCB-95305029
|
DTMZHHRWJYRFEJ-SFNUPWCISA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cnc(OC)c(Cl)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cncnc1
| 701.232419 | 3.45862 | 165.18 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)CCC5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 490 |
SCB-16674440
|
LKAXYHPLDZUTCP-RKXDKZPCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4c(c3)CCC4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCC4)cc2O1)c1cncnc1
| 676.296878 | 3.89032 | 143.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cccc5ccoc45)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 494 |
SCB-37444551
|
ISONVJRBHPASLO-RBAHPIJKSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cccc4ccoc34)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccc4ccoc34)cc2O1)c1cncnc1
| 676.260493 | 4.14782 | 156.2 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5nc(C)oc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 497 |
SCB-93531735
|
ONXJADBSWPAVTL-CNKAIQRXSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4nc(C)oc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ncoc4c3)cc2O1)c1cncnc1
| 691.271392 | 3.85124 | 169.09 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5[nH]c(C)cc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 498 |
SCB-10086794
|
UKXGGWOAXUNGEX-KSGGBINOSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4[nH]c(C)cc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2O1)c1cncnc1
| 689.292127 | 4.19134 | 158.85 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cc(Cl)cnc4OC)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 500 |
SCB-19928527
|
ZHJGOSULIWABBT-SFNUPWCISA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cc(Cl)cnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cncnc1
| 701.232419 | 3.45862 | 165.18 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)CCCO5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 501 |
SCB-93950846
|
SICZKIXOHWZUKK-RKXDKZPCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4c(c3)CCCO4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCCO4)cc2O1)c1cncnc1
| 692.291793 | 3.72662 | 152.29 | false | true | false |
CCN(CC)c1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2cn4c(C)cccc4n2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 515 |
SCB-45892329
|
NFXZQQZYVJKTDQ-ZIQXMJCOSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnc(N(CC)CC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1cn2ccccc2n1
| 694.318676 | 3.85042 | 151.57 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2cn4c(C)cccc4n2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cc1C
| 531 |
SCB-54223614
|
LSVUYRWYPUBBQC-BTMFEAAPSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnc(OC)c(C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cn2ccccc2n1
| 666.276143 | 3.92624 | 144.67 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3cc4ccccc4o3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 534 |
SCB-38356155
|
BQNCFSLCLPWGOB-FKSPUDHCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cc4ccccc4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1coc(C2CC2)n1
| 652.249259 | 5.17812 | 144.42 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3cn(C)nc3C(C)C)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 540 |
SCB-53025003
|
DOZIWWSYHSSPAD-VYATWXNGSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cn(C)nc3C(C)C)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1coc(C2CC2)n1
| 658.307443 | 4.28882 | 149.1 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 546 |
SCB-35848845
|
YDPORFTYGPWDLD-IDDKESBASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3ccc4c(c3)CC(C)(C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1coc(C2CC2)n1
| 682.29621 | 5.14542 | 140.51 | false | true | false |
COc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1nc(C3CC3)oc1C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 550 |
SCB-10568892
|
XZZBFYGKNWZXHS-NBOFGVAXSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cccnc3OC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 643.260158 | 3.83552 | 153.4 | false | true | false |
CCOc1ncccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1nc(C3CC3)oc1C)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S2(=O)=O
| 554 |
SCB-78135626
|
FDCCEIZBRLFYQC-LIASRPJNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cccnc3OCC)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1coc(C2CC2)n1
| 657.275809 | 4.22562 | 153.4 | false | true | false |
Cc1oc(C2CC2)nc1C(=O)N(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]1C
| 560 |
SCB-14274564
|
PPWSNQAPQGHZBP-BHAUDNIFSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2nc(C3CC3)oc2C)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1coc(C2CC2)n1
| 614.244843 | 3.22192 | 157.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5ccc(=O)[nH]c5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 563 |
SCB-83747102
|
AGYCBTRMTAJOAX-POUHAQFSSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4ccc(=O)[nH]c4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccc(=O)[nH]c4c3)cc2O1)c1cncnc1
| 703.271392 | 3.24312 | 175.92 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccnc(N(C)C)c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 567 |
SCB-88915880
|
HBBZHLCJPXCQQC-SLLNFBSNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccnc(N(C)C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccncc3)cc2O1)c1cncnc1
| 680.303026 | 2.86262 | 159.19 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(Br)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 576 |
SCB-10650704
|
DOPAUSOVHNYVOP-SANKOKGCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(Br)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccccc2O1)c1cncnc1
| 638.14479 | 2.49712 | 143.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5cc(OC)ccc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 580 |
SCB-10222922
|
QVKHRQVEAWOUER-KBDXCLGLSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4cc(OC)ccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1cncnc1
| 716.291793 | 4.56342 | 152.29 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccn(CC)n4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 586 |
SCB-97696288
|
HQCINLJWXBGBLS-XUWCWRIASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccn(CC)n3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc[nH]n3)cc2O1)c1cncnc1
| 654.287376 | 2.61802 | 160.88 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cccc(Oc5ccccc5)c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 587 |
SCB-10833734
|
WSFYQENRDAMSJE-JMFCAKSKSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cccc(Oc4ccccc4)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccc(Oc4ccccc4)c3)cc2O1)c1cncnc1
| 728.291793 | 5.19392 | 152.29 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cccc5c4OCC5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 588 |
SCB-55417852
|
CGWDPMWVEJVMNT-RBAHPIJKSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cccc4c3OCC4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccc4c3OCC4)cc2O1)c1cncnc1
| 678.276143 | 3.33652 | 152.29 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc6c(c5)OCO6)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 596 |
SCB-39335941
|
QACFIMJSBGPNNM-AVIFCUTLSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4c(c3)OCO4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2O1)c1cn2ccccc2n1
| 665.244508 | 3.94292 | 141.01 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5cnn(C(C)(C)C)c5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 604 |
SCB-78031606
|
ANGGLWZGULDTPF-VBMHZFROSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnn(C(C)(C)C)c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cn[nH]c3)cc2O1)c1cn2ccccc2n1
| 667.307777 | 4.16572 | 140.37 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5cnc(N)nc5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 609 |
SCB-10464807
|
MPCGDRULENJQGO-MKWSUJGLSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnc(N)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1cn2ccccc2n1
| 638.256076 | 2.58642 | 174.35 | false | true | false |
COc1cccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)c3cn5c(C)cccc5n3)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)oc12
| 611 |
SCB-82949145
|
LKRGIQBQPRLTIG-WYFYVQNASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cc4cccc(OC)c4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1cn2ccccc2n1
| 691.260158 | 4.96902 | 144.92 | false | true | false |
COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2cn4c(C)cccc4n2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 615 |
SCB-23193021
|
JUJMDSVCUGZKDE-MOUFJVBNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc(OC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccnc3)cc2O1)c1cn2ccccc2n1
| 652.260493 | 3.61782 | 144.67 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cnc(N)nc3)cc2O[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)c2cccn21
| 621 |
SCB-31832351
|
LJHICVBIJCNFAC-SRQCYXHUSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cnc(N)nc3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cncnc4)cc3O2)n2cccc21
| 641.255742 | 2.3358 | 179.05 | false | true | false |
COc1cccc2cc(-c3ccc4c(c3)O[C@@H](CN(C)C(=O)[C@@H]3CCC(=O)c5cccn53)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S4(=O)=O)oc12
| 623 |
SCB-48069141
|
FUFFYOVBSYSCDW-GJXWGHQISA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cc4cccc(OC)c4o3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cc5ccccc5o4)cc3O2)n2cccc21
| 694.259824 | 4.7184 | 149.62 | false | true | false |
COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)[C@@H]2CCC(=O)c4cccn42)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 628 |
SCB-11335142
|
BIDUNEIZAOGESJ-PYKQVZHLSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3ccc(OC)nc3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cccnc4)cc3O2)n2cccc21
| 655.260158 | 3.3672 | 149.37 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3ccc4ccc(O)cc4c3)cc2O[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)c2cccn21
| 633 |
SCB-58160477
|
KTVSLOLSZKGOPJ-OIZSQYQNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3ccc4ccc(O)cc4c3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4ccc5ccccc5c4)cc3O2)n2cccc21
| 690.264909 | 4.8224 | 147.48 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)[C@@H]2CCC(=O)c4cccn42)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 636 |
SCB-12984964
|
CWAMQFNXHIJOMI-JGYQTFDCSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cnc(OC)nc3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cncnc4)cc3O2)n2cccc21
| 656.255407 | 2.7622 | 162.26 | false | true | false |
C[C@@H]1CN([C@H](C)COC(=O)NC[3H])S(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O[C@H]1CN(C)C(=O)[C@@H]1CCC(=O)c2cccn21
| 642 |
SCB-22250306
|
GZYFRTNGRGBZGB-GJXWGHQISA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)Oc2cc(-c3cc4ccccc4o3)ccc2S1(=O)=O
|
O=C1CC[C@@H](C(=O)NC[C@H]2CCNS(=O)(=O)c3ccc(-c4cc5ccccc5o4)cc3O2)n2cccc21
| 664.249259 | 4.7098 | 140.39 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5c(c4)C[C@@H](C)O5)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 649 |
SCB-10147618
|
CWOWDGCWBBNIKQ-XQXVRGNKSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4c(c3)C[C@@H](C)O4)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2O1)c1cncnc1
| 692.291793 | 3.72502 | 152.29 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5[nH]c(=O)n(C)c5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 650 |
SCB-90216652
|
GLCLQWIQOWRNPG-FXKXNEJVSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4[nH]c(=O)n(C)c4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4[nH]c(=O)[nH]c4c3)cc2O1)c1cncnc1
| 706.282291 | 2.58162 | 180.85 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4cccc5c4CNC5=O)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 655 |
SCB-38954718
|
SIRQTOXHRTZGGV-FXKXNEJVSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3cccc4c3CNC4=O)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cccc4c3CNC4=O)cc2O1)c1cncnc1
| 691.271392 | 2.64502 | 172.16 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(C4=CC[C@H](C(C)(C)C)CC4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 664 |
SCB-11114103
|
TXNKGDKWGLDUMV-SRLOBFIZSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(C3=CC[C@H](C(C)(C)C)CC3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(C3=CCCCC3)cc2O1)c1cncnc1
| 696.359479 | 4.96422 | 143.06 | false | true | false |
C#CCNc1ncc(C(=O)N(C)C[C@@H]2Oc3cc(-c4ccc5nc(C)ccc5c4)ccc3S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]2C)c(C)n1
| 665 |
SCB-11263150
|
PZBPMZZFFCWYDQ-GXHDKUBNSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cnc(NCC#C)nc2C)Oc2cc(-c3ccc4nc(C)ccc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ncccc4c3)cc2O1)c1cncnc1
| 701.292127 | 4.25824 | 155.95 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5ccc6ccc(O)cc6c5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 676 |
SCB-97508781
|
VCORJORYKHVWBX-JWZZHCJBSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3ccc4ccc(O)cc4c3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3ccc4ccccc4c3)cc2O1)c1cn2ccccc2n1
| 687.265244 | 5.07302 | 142.78 | false | true | false |
COc1ncc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2cn4c(C)cccc4n2)[C@H](C)CN([C@H](C)COC(=O)NC[3H])S3(=O)=O)cn1
| 680 |
SCB-38164688
|
QJKHDXJBOSASIG-HBFBRORUSA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cnc(OC)nc3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cncnc3)cc2O1)c1cn2ccccc2n1
| 653.255742 | 3.01282 | 157.56 | false | true | false |
Cc1cccc2nc(C(=O)N(C)C[C@@H]3Oc4cc(-c5cc6ccccc6o5)ccc4S(=O)(=O)N([C@H](C)COC(=O)NC[3H])C[C@H]3C)cn12
| 687 |
SCB-81776572
|
PMFBVNRTTCCHQO-WYFYVQNASA-N
|
[3H]CNC(=O)OC[C@@H](C)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cn3c(C)cccc3n2)Oc2cc(-c3cc4ccccc4o3)ccc2S1(=O)=O
|
O=C(NC[C@H]1CCNS(=O)(=O)c2ccc(-c3cc4ccccc4o3)cc2O1)c1cn2ccccc2n1
| 661.249594 | 4.96042 | 135.69 | false | true | false |
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