zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001480043227 | COC[C@H](C)N[C@@H](CNC(=O)Cc1cc(F)ccc1F)C1CC1 |
ZINC001370506630 | Cc1nccn1CC(=O)N(C)C[C@@H](C)NC(=O)CN1CCCCC1=O |
ZINC000109101324 | O=C(Nc1ccccc1CN1CCOCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 |
ZINC001114330264 | CCC[C@H](C)CCCC(=O)NC1[C@@H]2CN(CC(=O)NC(C)C)C[C@@H]12 |
ZINC000863379495 | C[C@@H](Sc1nc2cc(Br)ccc2o1)c1nncn1C |
ZINC001202503940 | C[C@H]1CN(C)C[C@@H]1C(=O)N1CCC(NCCCF)CC1 |
ZINC001241076340 | CC(C)COc1cc(F)cc(-c2ccccc2CN2CC[C@@H](N)C2)c1 |
ZINC001441198931 | CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCc2cnoc2C)C2CC2)CCN1C |
ZINC001193768514 | Cc1cc(NS(=O)(=O)c2cc(F)cc(Br)c2)n(CC2CCC2)n1 |
ZINC001155991974 | O=Nc1c(O)nc(O)nc1NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 |
ZINC000710710070 | C[C@H](C[C@]1(O)CCCC[C@H]1C1CC1)C(C)(C)C |
ZINC001583838482 | O=Cc1ccc(F)c(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 |
ZINC000494380507 | C[C@H]1[C@@H](C)N(C)CCN1C(=O)CC1CN(C(=O)OC(C)(C)C)C1 |
ZINC001161747404 | Cc1[nH]nc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1-c1ccc(Cl)cc1 |
ZINC001097194097 | C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2nc3cc(C)cc(C)c3o2)C1 |
ZINC001735793574 | C#CCCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1CC)C2 |
ZINC000966797896 | C[C@H]1CN(C(=O)c2ccccc2OC2CCC2)C[C@H]1NC(=O)C1CC1 |
ZINC001571063136 | C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1NCC1CC2(CCC2)C1 |
ZINC000818971557 | CC[C@@H]1CN(C)CCN1C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 |
ZINC000911542239 | COc1cc(NC2CCN(C(=O)C[C@H](C)CC(=O)O)CC2)cc(OC)c1 |
ZINC001716597378 | CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)CCC1CCOCC1 |
ZINC000612466796 | CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)[C@@H](C)C1 |
ZINC000112581234 | O=C1c2ccccc2CCC[C@H]1Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 |
ZINC000539727712 | O=C(CN1CCC[C@@H]1C1CCOCC1)Nc1ccnn1C1CCCC1 |
ZINC001267865280 | C[C@@H]1CCCC[C@@]1(CNCCO)NC(=O)CCc1ccncn1 |
ZINC001698367359 | CSC1(Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CCN(C)CC1 |
ZINC000189933577 | CCn1nccc1N1CCC[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1=O |
ZINC000393387011 | CCc1nc(CN2CCCCCC2)[nH]c(=NC)c1I |
ZINC000441094914 | CC1(C)CN(C[C@H](O)COCc2ccccc2)C[C@H]1c1ccccc1 |
ZINC001394883949 | Cc1n[nH]cc1C(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1cn[nH]c1 |
ZINC001157721125 | O=C(Cc1nc(C2CCOCC2)n[nH]1)NCC1(O)CCS(=O)(=O)CC1 |
ZINC000544372724 | CC[C@@H](Nc1ccc(C)c(-c2nnnn2C2CC2)c1)c1ccccc1OCC(=O)N(C)C |
ZINC001402257337 | CCn1cc(C(=O)NC[C@@H](NCc2csc(C)c2)C2CC2)cn1 |
ZINC000563498384 | C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCOC1 |
ZINC000584928268 | O=C(c1cccc(B(O)O)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 |
ZINC001365989234 | C[C@@H](C(=O)N[C@@H]1CCN(CCOc2cccc(F)c2)C1)C(C)(F)F |
ZINC000358608811 | COC(=O)CCSCc1cccc(NC(=O)c2cnccc2C)c1 |
ZINC000511191291 | CC(C)(C)NC(=O)CNC(=O)CN1CCc2ccc(C(C)(C)C)cc2C1 |
ZINC001540219701 | NC(=O)[C@H](NC(=O)C[C@@H]1OCc2cc(Cl)ccc21)c1ccc(Cl)cc1 |
ZINC000546000679 | C[C@@H](C1CC1)N(C(=O)c1cccc(C2CCC2)c1)C1CC1 |
ZINC000537321907 | Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 |
ZINC001571133753 | O=C(O)[C@@H]1Cc2ccc(O)cc2CN1C[C@H]1CCC2(CCC2)O1 |
ZINC000375219057 | CC(C)OC[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCO1 |
ZINC001810460695 | O=C(NC[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)ccn2)[C@H]1c1cccnc1)C(=O)Nc1cccnc1 |
ZINC000760062840 | CCN(CC)C(=O)C1(NC(=O)Nc2cnc(Cl)c(C)c2)CCCCC1 |
ZINC001294223601 | CCCCN(C)CCn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](SC)C1 |
ZINC000710683987 | Cc1cc(NS(=O)(=O)C2CCC(O)CC2)cs1 |
ZINC000579986158 | CC(C)[C@@H]1N(C(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC12CCC2 |
ZINC001460716748 | Cc1ccc2sc(CN3CCC(Cc4nn[nH]n4)CC3)nc2c1 |
ZINC000952667084 | O=C(C[C@@H]1CCCO1)N1C[C@@H]2CCC[C@H](C1)N2C(=O)/C=C\C1CC1 |
ZINC000977303928 | CO[C@H](C)C(=O)N1C[C@H]2[C@H](NC(=O)c3cccc4cc[nH]c34)[C@H]2C1 |
ZINC001535618126 | CCC[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCCCC1 |
ZINC001400985800 | CO[C@H](C)CC(=O)N1CCC(C)(CNC(=O)c2cnccc2C)CC1 |
ZINC001130350627 | C[C@H](NCCNC(=O)Cc1ccccc1)C(=O)NC1CCCC1 |
ZINC001045534342 | Cc1cccc(CN2CCC(C)(NC(=O)c3cnc(C)n3C)CC2)c1 |
ZINC001551056758 | CCN(CC)C(=O)N1CCC(C(=O)NC2C[C@@H]3OC(C)(C)O[C@H]3C2)CC1 |
ZINC000854906953 | CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)C1 |
ZINC001210741460 | N#Cc1ccccc1Nc1ccc(CCc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 |
ZINC001844947819 | O=C(c1ncn(-c2ccccc2)n1)N1CC2(CCCN2C(=O)c2ccc(C(F)(F)F)cc2)C1 |
ZINC000453470943 | CCn1c([C@@H]2CCCO2)nnc1N1CCN(Cc2ccccc2C)CC1 |
ZINC000921215233 | Cc1cc(C)c(CCNC(=O)COC(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 |
ZINC000777421041 | COC(=O)c1ccc(OC)cc1OC(=O)c1cc(C)nc(Cl)c1 |
ZINC000454409714 | CC[C@@H]1CC[C@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C1 |
ZINC000925913265 | CCN1CCOC[C@H]1C(=O)N=S1(=O)CCCC1 |
ZINC001445546752 | O=C(NC[C@@H](O)c1ccccc1F)c1ccc2c(c1)OC(F)(F)O2 |
ZINC001245855972 | COc1cc(-c2cccc3cc(N)cnc23)c(F)c(F)c1Cl |
ZINC000906217431 | COC[C@@H](Cc1ccccc1)N(C)C(=O)C1(n2cccn2)CCNCC1 |
ZINC000088942056 | COCCN([C@@H](C)COC)S(=O)(=O)c1csc(CCl)c1 |
ZINC001496709055 | CN(C/C=C/Cl)CCN(C)C(=O)c1cccc2c1CCCC2 |
ZINC000611037115 | CCOC(=O)CC[C@@H]1CCCN(Cc2nnc(-c3ccc(OC)cc3)o2)C1 |
ZINC001449928960 | C[C@@H](CNC(=O)[C@@H]1CN2CCC1CC2)N(C)C(=O)C1CCCCC1 |
ZINC001751129357 | C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1)c1ccc(F)cc1 |
ZINC000863596262 | O=C(c1cn[nH]c1)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 |
ZINC001095284588 | CC(C)CO[C@@H](C)C(=O)N1CCC[C@H](Nc2cc(F)ncn2)C1 |
ZINC001568577713 | Cc1cccc(CC(=O)NC[C@@H](O)CNCC[C@H]2CCCO2)c1 |
ZINC000524393511 | CC(C)[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1nc(C2CC2)no1 |
ZINC001207965362 | CC(C)N(C[C@H]1CCCCO1)C1CCN(C)CC1 |
ZINC001035462405 | O=C(NC[C@@H]1CN(CCc2ccc(Cl)cc2)CCO1)c1cnco1 |
ZINC001760039744 | CCOCCC(=O)N1CC[C@@](C)(CNC(=O)[C@H]2CCNC2=O)C1 |
ZINC001227335963 | CCOC(=O)CC(CC(=O)OCC)Oc1c(C(=O)CBr)ccc2ccccc12 |
ZINC000171296530 | CCN1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 |
ZINC001165358064 | Cc1cccc(CN2C(=O)COC3(CCN(c4ncnc5[nH]c6ccccc6c45)CC3)[C@@H]2C)n1 |
ZINC000520592295 | CCO[C@H](C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C)c1ccccc1 |
ZINC000454220860 | Cc1cccc([C@H](C)NC(=O)NCc2ccnc(N3CCCC3)c2)c1 |
ZINC001763765205 | CC[C@@H](C)c1nnc(N2CCN(C3CCC3)CC2)n1Cc1cnn(CCOC)c1 |
ZINC000489753086 | CCOc1ccc(C(=O)N(CCOC)[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] |
ZINC000764186378 | CC(=O)c1c(C)cc(C)c(COC(=O)c2cn(CC(F)(F)F)nc2C)c1C |
ZINC000628355695 | Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O |
ZINC001391062787 | CC[C@@H](CC(C)C)C(=O)NC[C@H]1CCCN1Cc1nccn1C |
ZINC000798790782 | CCC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ccc1F |
ZINC000355055490 | CCOC[C@@H](O)CN1CC[C@H](n2cc(C(=O)OC)nn2)C1 |
ZINC000991864528 | O=C(NC1CN(C(=O)[C@@H]2CC23CCCC3)C1)[C@@H]1CCCc2c[nH]nc21 |
ZINC001163208850 | Cc1cc(NC(=O)[C@@H](C)NCCCNC(=O)COCC(F)F)on1 |
ZINC000121941773 | N#CCCN(CCC#N)Cc1ccc(Br)cc1F |
ZINC000788545446 | CCN(CC)S(=O)(=O)c1cc(NC(=O)NNc2ccc(Cl)c(OC)c2)ccc1C |
ZINC000427647600 | O=S(=O)(Nc1noc2ccc(Cl)cc12)c1cccc(Cl)c1 |
ZINC001004467689 | Cc1cncc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2=CCOCC2)c1 |
ZINC000173133762 | COc1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)ccc1OC(F)F |
ZINC000819684562 | COc1ccccc1/C=C(/C(=O)NC[C@@H]1CN2CCCN1CC2)c1ccccc1 |
ZINC000796987917 | CC1CCN(C(=O)COC(=O)c2cc(F)c(Br)c(Cl)c2)CC1 |
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