ZINC 12

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Active cart: 185 CYP51 spectral HTS hits (248 items)

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This report ranks vendors by which sells the most compounds in your active cart. Click on Download to download all this information in tab delimited format suitable for reading in a spreadsheet program. Click on the vendor name to go to the vendor information page in ZINC. Click on "N available" to focus on this vendor's compounds only. Click on Send Quote Request to compose an email to the vendor. If the supplier code is clickable, it takes you directly to the vendor page for that compound. Click on the ZINC ID to go to the Molecule detail page. Click on the SMILES to perform find analogs of that compounds in ZINC. Hover over the smiles for the molecular structure.

Overview

Purchasable Compounds: 232 are for sale from 1 different vendors
Not Available Compounds: 12 are not for sale

185 CYP51 spectral HTS hits (Public by lpodust) Estimated affinity below 20 nM (tested against recombinant T. cruzi CYP51) Download Show All

Catalogs to Purchase

Available Catalogs

AKOS — 180 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
30617	AKOS000646343	c1cc(cnc1)CNC(=O)Cc2ccc(cc2)Cl	18	Z
51057	AKOS001704172	COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2)Cc3ccncc3	14	Z
74519	AKOS000563611	c1ccc(cc1)c2csc(n2)Nc3cccnc3	13	Z
75390	AKOS000806574	Cc1c(c2ccccc2[nH]1)[C@@H](c3cccnc3)Nc4cccc(c4)F	11	Z
75405	AKOS000806574	Cc1c(c2ccccc2[nH]1)[C@H](c3cccnc3)Nc4cccc(c4)F	11	Z
79236	AKOS001746798	Cc1ccccc1OCC(=O)N2[C@](CC(=N2)C)(c3cccnc3)O	14	Z
88394	AKOS000565322	c1cc(cc(c1)O)Nc2nc(cs2)c3ccncc3	5	Z
88477	AKOS000660641	CCOC(=O)C1=C(N(C(=C(C1c2ccncc2)C(=O)OCC)C)C)C	15	Z
110441	AKOS000964447	CCN(Cc1ccncc1)C(=S)NCCc2ccccc2	12	Z
112120	AKOS001726538	C[C@@H](CCc1ccccc1)NC(=S)Nc2cccnc2	10	Z
112127	AKOS001726538	C[C@H](CCc1ccccc1)NC(=S)Nc2cccnc2	10	Z
115458	AKOS000664130	c1ccc(c(c1)OCc2ccc(o2)C(=O)NCc3cccnc3)Cl	14	Z
121602	AKOS000337354	Cc1cc(c(n1c2ccncc2)C)C=C3C(=O)c4ccccc4C3=O	10	Z
168815	AKOS000663987	COc1ccc(cc1OC)/C=C/C(=O)Nc2ccncc2	15	Z
190413	AKOS001607913	c1cc(c(cc1Cl)SCCc2ccncc2)Cl	11	Z
197177	AKOS000545969	c1cc2c(cc1/C=C/c3ccncc3)OCO2	6	Z
197508	AKOS001677979	CC(C)(C)c1ccc(cc1)/C=C/C(=O)NCc2cccnc2	16	Z
198316	AKOS000523279	c1ccc(cc1)S(=O)(=O)c2ccc(cc2)n3ccnc3	3	Z
203291	AKOS001655141	Cc1ccc(c(c1)O[P@@](=O)(C)Nc2cccnc2)Cl	9	Z
203295	AKOS001655141	Cc1ccc(c(c1)O[P@](=O)(C)Nc2cccnc2)Cl	9	Z
203980	AKOS000490699	c1cc(c2cnccc2c1Br)Br	35	Z
208790	AKOS001681551	COc1ccccc1C(=O)O/N=C(\c2ccccc2)/c3ccncc3	7	Z
220723	AKOS001049858	c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)N4CCCCC4	8	Z
227224	AKOS000527002	c1ccc(c(c1)/C=C(\C#N)/C(=O)NCc2cccnc2)Cl	11	Z
265194	AKOS000748635	COc1ccc(cc1)C(=O)[C@@H](c2ccccc2)OC(=O)c3ccncc3	11	Z
265195	AKOS000748635	COc1ccc(cc1)C(=O)[C@H](c2ccccc2)OC(=O)c3ccncc3	11	Z
303012	AKOS002722974	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)Cc3ccncc3	9	Z
322678	AKOS000674561	c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3cccnc3)N	9	Z
327333	AKOS000579062	c1ccc(cc1)CCC(=O)Nc2ccncc2	15	Z
342908	AKOS003240211	c1ccc2cc(ccc2c1)C(=O)Nc3ccncc3	11	Z
352987	AKOS001112166	c1ccc2c(c1)ccc3c2c(co3)CC(=O)NCc4cccnc4	14	Z
367876	AKOS003335567	CCC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccncc2	11	Z
376363	AKOS003326497	C[C@@H](CCc1ccccc1)NC(=O)c2ccncc2	13	Z
382662	AKOS000645368	COc1ccccc1Cc2nc(no2)c3ccncc3	11	Z
382668	AKOS000374215	c1cc(c(c(c1)Cl)CSCC(=O)NCc2cccnc2)Cl	12	Z
395295	AKOS001211935	c1cc(cnc1)CNC(=O)Nc2ccc(cc2)Cl	24	Z
429100	AKOS001815482	COc1ccc2c(c1)cc3cc(oc3n2)C(=O)NCc4cccnc4	6	Z
434034	AKOS003235861	CC[C@@H](C(=O)Nc1ccncc1)Oc2ccccc2	12	Z
434035	AKOS003235861	CC[C@H](C(=O)Nc1ccncc1)Oc2ccccc2	12	Z
441866	AKOS000641103	c1cc(ccc1Cc2nc(no2)c3ccncc3)Cl	11	Z
461748	AKOS003284497	c1cnccc1NC(=O)CCC2CCCC2	14	Z
484119	AKOS003283963	c1ccc(cc1)[C@@H](C(=O)NCc2ccncc2)Sc3ccccc3	12	Z
484121	AKOS003283963	c1ccc(cc1)[C@H](C(=O)NCc2ccncc2)Sc3ccccc3	12	Z
519945	AKOS000663862	c1cc(cnc1)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4	10	Z
611571	AKOS001696861	COc1ccccc1C(=O)n2c(nc(n2)c3cccnc3)N	11	Z
613276	AKOS000563340	Cc1cccc(n1)Nc2nc(cs2)c3ccncc3	10	Z
614403	AKOS000670349	c1ccc(cc1)Nc2ccc3c(c2)OC(=C([C@H]3c4ccncc4)C#N)N	5	Z
614405	AKOS000670349	c1ccc(cc1)Nc2ccc3c(c2)OC(=C([C@@H]3c4ccncc4)C#N)N	5	Z
617766	AKOS000671034	c1cc(c(cc1NC(=O)NCCc2ccncc2)Cl)Cl	9	Z
631179	AKOS000812811	c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccncc3	7	Z
645593	AKOS001675623	c1cc(sc1)S(=O)(=O)N(c2ccc3c(c2)c4c(o3)CCCC4)C(=O)c5ccncc5	12	Z
646555	AKOS000557109	c1cc(sc1)c2cc(nc(n2)SCC(=O)NCc3ccncc3)C(F)(F)F	13	Z
646612	AKOS000557628	c1cc(ccc1c2cc(nc(n2)SCC(=O)NCc3ccncc3)C(F)(F)F)F	14	Z
692634	AKOS003342878	CC(C)(C)NC(=O)c1cccc(c1)NC(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4cccnc4	11	Z
702516	AKOS002707838	c1cc(cnc1)c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4	11	Z
703158	AKOS002228274	C[C@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)Cc5cccnc5)[O-]	11	Z
703159	AKOS002228274	C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)Cc5cccnc5)[O-]	11	Z
703161	AKOS002228274	C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@@H]3c4cccs4)Cc5cccnc5)[O-]	11	Z
752132	AKOS000669345	CC1(CC2=C([C@H](Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C	10	Z
752133	AKOS000669345	CC1(CC2=C([C@@H](Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C	11	Z
804100	AKOS000665838	Cc1coc(n1)NC(=O)c2c(c3c(cc(nc3s2)c4ccncc4)C(F)(F)F)N	12	Z
804816	AKOS000438325	c1ccc(cc1)CN(CC(=O)NCc2ccncc2)S(=O)(=O)c3ccccc3	11	Z
811601	AKOS000620903	Cc1ccc(cc1)C[C@@H]2CC(=O)N(C2=O)c3ccncc3	10	Z
879613	AKOS001487989	Cc1c(c(no1)c2ccccc2Cl)C(=O)O/N=C(\C)/c3ccncc3	14	Z
991957	AKOS003277315	c1cc(ccc1Cc2ccncc2)NS(=O)(=O)c3ccc(cc3)Br	11	Z
1010695	AKOS003334987	c1cc(cnc1)CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc4ccc(cc4)F	11	Z
1014196	AKOS000808832	Cc1c(c2ccccc2[nH]1)[C@@H](c3ccncc3)Nc4ccc(cc4)F	9	Z
1014197	AKOS000808832	Cc1c(c2ccccc2[nH]1)[C@H](c3ccncc3)Nc4ccc(cc4)F	9	Z
1082070	AKOS000659253	CCOC(=O)C1=C(NC2=C([C@H]1c3cccnc3)C(=O)C[C@H](C2)c4ccccc4)C	12	Z
1082071	AKOS000659253	CCOC(=O)C1=C(NC2=C([C@@H]1c3cccnc3)C(=O)C[C@H](C2)c4ccccc4)C	12	Z
1082072	AKOS000659253	CCOC(=O)C1=C(NC2=C([C@H]1c3cccnc3)C(=O)C[C@@H](C2)c4ccccc4)C	12	Z
1082073	AKOS000659253	CCOC(=O)C1=C(NC2=C([C@@H]1c3cccnc3)C(=O)C[C@@H](C2)c4ccccc4)C	12	Z
1111673	AKOS001766808	CC1=C([C@H](n2c(nc(n2)SCc3ccccc3)N1)c4cccc(c4)O)C(=O)Nc5cccnc5	8	Z
1111674	AKOS001766808	CC1=C([C@@H](n2c(nc(n2)SCc3ccccc3)N1)c4cccc(c4)O)C(=O)Nc5cccnc5	8	Z
1244973	AKOS005627177 AKOS000622310	C=CCn1c2ccccc2c(=O)c(c1[O-])C(=O)NCc3ccncc3	12	Z
1266780	AKOS001722973	Cc1cc2c(c(=O)o1)[C@H](C(=C(O2)N)C(=O)OC)c3cccnc3	7	Z
1266781	AKOS001722973	Cc1cc2c(c(=O)o1)[C@@H](C(=C(O2)N)C(=O)OC)c3cccnc3	7	Z
1430751	AKOS001747687	c1cc(cnc1)[C@H]2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N	10	Z
1430752	AKOS001747687	c1cc(cnc1)[C@@H]2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N	10	Z
1804200	AKOS001606785	c1ccc(c(c1)OP(=O)(Nc2cccnc2)Oc3ccccc3Cl)Cl	9	Z
2080197	AKOS000650502	Cc1cc(ccc1OCCCC(=O)NCc2cccnc2)Cl	15	Z
2080198	AKOS001449949	Cc1cc(ccc1OCCCC(=O)NCc2ccncc2)Cl	13	Z
2080204	AKOS000581304	Cc1cc(ccc1OCCCC(=O)Nc2cccnc2)Cl	14	Z
2203777	AKOS001686283	c1ccc(cc1)OCc2nc(c(o2)NCCCn3cc[nH+]c3)C#N	9	Z
2332322	AKOS001722594	Cc1cc2c(c(=O)n1CCCn3cc[nH+]c3)[C@H](C(=C(O2)N)C(=O)OC)c4ccc(cc4)Cl	12	Z
2332324	AKOS001722594	Cc1cc2c(c(=O)n1CCCn3ccnc3)[C@@H](C(=C(O2)N)C(=O)OC)c4ccc(cc4)Cl	12	Z
2374304	AKOS000665155	c1ccc2c(c1)c(nn(c2=O)CC(=O)NCc3cccnc3)c4ccc(cc4)Cl	11	Z
2704780	AKOS001491032	CC(C)c1nnc(s1)N2[C@H](c3c(=O)c4ccccc4oc3C2=O)c5cccnc5	10	Z
2704782	AKOS001491032	CC(C)c1nnc(s1)N2[C@@H](c3c(=O)c4ccccc4oc3C2=O)c5cccnc5	10	Z
2748319	AKOS003244984	c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3ccncc3	14	Z
2774194	AKOS003326497	C[C@H](CCc1ccccc1)NC(=O)c2ccncc2	13	Z
2790470	AKOS001694409	c1ccc(c(c1)C(=O)NCCCn2cc[nH+]c2)Br	18	Z
2875216	AKOS001846217	c1cc(cnc1)NC(=O)CCc2nc(no2)c3ccc(cc3)Cl	10	Z
2966695	AKOS002130813	Cc1ccccc1CSCc2ccc(o2)C(=O)NCc3cccnc3	7	Z
3127350	AKOS001612310	Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2	5	Z
3627240	AKOS000575310	Cc1cc(ccc1OCCNC(=O)c2cccnc2)Cl	14	Z
3905225	AKOS001680362	c1cc(ccc1S(=O)(=O)O/N=C(/c2ccncc2)\N)Cl	9	Z
3906359	AKOS001751078	c1ccc2c(c1)c3c(cc(s3)C(=O)NCc4cccnc4)c(=O)o2	5	Z
3908526	AKOS001804773	c1ccc(c(c1)c2cc(no2)C(=O)NCc3cccnc3)O	6	Z
4014086	AKOS000559772	c1cc(cc(c1)Br)C2=NO[C@@H](C2)C(=O)NCCCn3ccnc3	11	Z
4014090	AKOS000559772	c1cc(cc(c1)Br)C2=NO[C@H](C2)C(=O)NCCCn3cc[nH+]c3	11	Z
4057998	AKOS000663862	c1cc(cnc1)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4	10	Z
4117273	AKOS001746798	Cc1ccccc1OCC(=O)N2[C@@](CC(=N2)C)(c3cccnc3)O	14	Z
4144503	AKOS001691667	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCCC(=O)NCc4cccnc4	16	Z
4168182	AKOS000231503 AKOS003231593	C[C@@H](C12CC3CC(C1)CC(C3)C2)[NH2+]Cc4cccnc4	22	Z
4168183	AKOS003231593 AKOS000231503	C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]Cc4cccnc4	22	Z
4385845	AKOS000600907	C[C@@H](c1ccc(cc1)n2ccnc2)NS(=O)(=O)c3ccc(c4c3cccc4)OC	12	Z
4385846	AKOS000600907	C[C@H](c1ccc(cc1)n2ccnc2)NS(=O)(=O)c3ccc(c4c3cccc4)OC	12	Z
4391373	AKOS003679648	CC1=C([C@H](C(=C(N1)SCC(=O)Nc2ccc(cc2)F)C#N)c3cccnc3)C(=O)Nc4ccccc4	7	Z
4450519	AKOS000623583	COc1cccc(c1OCc2ccc(cc2)Cl)C[NH2+]Cc3cccnc3	10	Z
4624066	AKOS001749476	CCc1c(c(c(c(n1)SCc2cccnc2)C#N)C(F)(F)F)C	11	Z
4626577	AKOS001785972	COc1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@@H]3c4cccnc4	11	Z
4626578	AKOS001785972	COc1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4cccnc4	11	Z
4646376	AKOS005678753	C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C45C[C@H]6C[C@@H](C4)CC(C6)(C5)n7cncn7	6	Z
4646377	AKOS005678753	C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C45C[C@H]6C[C@@H](C4)CC(C6)(C5)n7cncn7	6	Z
4708305	AKOS003661032	c1cc(oc1C(=O)NCCc2ccncc2)Br	13	Z
4733453	AKOS001763016	CN1[C@@H]([C@@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	5	Z
4733457	AKOS001763016	CN1[C@H]([C@@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	5	Z
4733459	AKOS001763016	CN1[C@@H]([C@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	5	Z
4733460	AKOS001763016	CN1[C@H]([C@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	5	Z
4734330	AKOS001763115	COc1ccc(cc1OC)c2cc(nc(n2)NCc3cccnc3)C(F)(F)F	6	Z
4762462	AKOS001771180	CC(C)/C=C/1\CC/C(=C\c2ccncc2)/C1=O	5	Z
4902726	AKOS001793436	Cc1ccc2c(c1)sc(n2)NC(=O)C3CCN(CC3)S(=O)(=O)c4cccnc4	8	Z
4909728	AKOS001862393	CCOC(=O)c1cc(n(c1C)CCC(=O)NCc2cccnc2)c3ccc(cc3)C	6	Z
4911342	AKOS001848706	c1cc(cnc1)CNC(=O)c2csc3c2CCCC3	12	Z
4912565	AKOS001855726	c1cc(cnc1)Cn2cnc3c(c2=O)cnn3c4ccc(cc4)Cl	5	Z
4924616	AKOS001824127	Cc1c(nc(o1)c2ccc(cc2)OC)CSCC(=O)NCc3cccnc3	7	Z
5151836	AKOS001865416	c1cc(cnc1)c2nc(cs2)CNS(=O)(=O)c3ccc(cc3)Br	7	Z
5687372	AKOS003297517	c1cc(cnc1)CSc2[nH]c3cc(ccc3n2)F	5	Z
6013476	AKOS001658066	c1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccncc2)c3ccc(cc3Cl)Cl	10	Z
6144539	AKOS001693616	CC1=C([C@@H](n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4cccnc4	6	Z
6144540	AKOS001693616	CC1=C([C@H](n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4cccnc4	6	Z
6161580	AKOS001652294	c1ccc(cc1)Oc2cccc(c2)/C=C(\C(=O)NCc3cccnc3)/S(=O)(=O)c4ccccc4	8	Z
6445314	AKOS000556573	c1cc(oc1)c2cc(nc(n2)SCCCC(=O)NCc3ccncc3)C(F)(F)F	10	Z
6721148	AKOS001287594	CCOc1cc(ccc1Cl)S(=O)(=O)Nc2cccnc2	10	Z
6732399	AKOS001676402	c1cc(cnc1)c2nc3n(n2)[C@@H](C4=C(N3)CCCC4=O)c5ccc(cc5)Cl	6	Z
6732400	AKOS001676402	c1cc(cnc1)c2nc3n(n2)[C@H](C4=C(N3)CCCC4=O)c5ccc(cc5)Cl	6	Z
6732469	AKOS001675999	COc1ccc(cc1)c2nc3n(n2)[C@@H](C4=C(N3)CCCC4=O)c5cccnc5	7	Z
6732470	AKOS001675999	COc1ccc(cc1)c2nc3n(n2)[C@H](C4=C(N3)CCCC4=O)c5cccnc5	7	Z
6736834	AKOS005650250	COc1ccc(cc1)c2cc([nH]n2)C(=O)NCc3cccnc3	7	Z
6747806	AKOS001904464	CN1[C@@H](c2c(n[nH]c2C1=O)c3ccc(cc3)F)c4cccnc4	9	Z
6747807	AKOS001904464	CN1[C@H](c2c(n[nH]c2C1=O)c3ccc(cc3)F)c4cccnc4	9	Z
6749527	AKOS001869751	CCc1cc2c(s1)cc3n2cnn(c3=O)CC(=O)NCc4cccnc4	5	Z
6780638	AKOS001910814	Cc1ccc(cc1)Sc2c3ccccc3[nH]c2C(=O)NCc4cccnc4	6	Z
6805467	AKOS001872237	COc1ccc(cc1)CNc2nc3ccccc3c4n2nc(n4)c5ccncc5	5	Z
6810755	AKOS001845669	Cn1c(nnc1SCc2nc(no2)c3ccc(cc3)Cl)c4ccncc4	5	Z
6919911	AKOS002114506	CCCCNC(=O)c1cc(nc2c1cccc2)c3ccncc3	11	Z
8383491	AKOS002228274	C[C@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@@H]3c4cccs4)Cc5cccnc5)[O-]	11	Z
8415433	AKOS001658649	CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)c3cccnc3)C(=O)Nc4ccc(cc4F)F	7	Z
8415436	AKOS001658649	CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)c3cccnc3)C(=O)Nc4ccc(cc4F)F	7	Z
8845448	AKOS001520052	CCOc1cc(ccc1OCC=C)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O	12	Z
8845449	AKOS001520052	CCOc1cc(ccc1OCC=C)[C@H]2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O	12	Z
8845462	AKOS001519854	CCCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	12	Z
8845463	AKOS001519854	CCCCOc1ccc(cc1OC)[C@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	12	Z
8996974	AKOS005630993 AKOS000531706	Cc1c(sc2c1c(=O)nc([nH]2)SCC(=O)NCCCn3cc[nH+]c3)C	13	Z
9144920	AKOS003679648	CC1=C([C@@H](C(=C(N1)SCC(=O)Nc2ccc(cc2)F)C#N)c3cccnc3)C(=O)Nc4ccccc4	7	Z
9195214	AKOS001897138	COc1ccc(cc1)CNc2nc(nn2S(=O)(=O)c3ccccc3)c4cccnc4	9	Z
9432012	AKOS001845949	CC(C)Cn1c(nnc1SCc2nc(no2)c3ccc(c(c3)OC)OC)c4ccncc4	5	Z
9601971	AKOS001675599	Cc1cccc(c1)c2nc3n(n2)[C@@H](C(=C(N3)C)C(=O)Nc4cccnc4)c5cccc(c5OC)OC	7	Z
9601972	AKOS001675599	Cc1cccc(c1)c2nc3n(n2)[C@H](C(=C(N3)C)C(=O)Nc4cccnc4)c5cccc(c5OC)OC	7	Z
9601977	AKOS001675914	CC1=C([C@@H](n2c(nc(n2)c3ccc(cc3)OC)N1)c4cccs4)C(=O)Nc5cccnc5	6	Z
9601978	AKOS001675914	CC1=C([C@H](n2c(nc(n2)c3ccc(cc3)OC)N1)c4cccs4)C(=O)Nc5cccnc5	6	Z
9602013	AKOS001653141	CC1(CC2=C([C@@H](n3c(nc(n3)c4cc(cc(c4)OC)OC)N2)c5ccncc5)C(=O)C1)C	Only	Z
9602014	AKOS001653141	CC1(CC2=C([C@H](n3c(nc(n3)c4cc(cc(c4)OC)OC)N2)c5ccncc5)C(=O)C1)C	Only	Z
9609187	AKOS001853139	Cc1c(c(n2c(n1)cc(n2)c3cc(cc(c3)OC)OC)C)CCC(=O)Nc4cccnc4	7	Z
9609199	AKOS001501765	Cc1c(c(n2c(n1)cc(n2)c3cc(cc(c3)OC)OC)C)CCC(=O)NCc4cccnc4	7	Z
9730892	AKOS001678822	CCOC(=O)c1c(n(c2c1cc(cc2)OC[C@@H](Cn3ccnc3)O)c4ccc(cc4)C)C	10	Z
9730893	AKOS001678822	CCOC(=O)c1c(n(c2c1cc(cc2)OC[C@H](Cn3ccnc3)O)c4ccc(cc4)C)C	10	Z
9781416	AKOS001629835	Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCc3cccnc3)Cc4cccc5c4cccc5	6	Z
13125285	AKOS000535769	CCOC(=O)C1=C(Nc2nnnn2[C@@H]1c3cccnc3)C	10	Z
13125286	AKOS000535769	CCOC(=O)C1=C(Nc2nnnn2[C@H]1c3cccnc3)C	10	Z
13878959	AKOS001054425	c1cc(ccc1CC(=O)O/N=C(/c2cc[nH+]cc2)\N)Cl	12	Z
13882205	AKOS003793708	Cc1ccc(c(c1)C)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5	9	Z
19325360	AKOS001900448	c1ccc(cc1)C23CN4CC(C2=O)(CN(C3)C4c5cccnc5)c6ccccc6	9	Z
19731794	AKOS000653322	CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)c3ccncc3)C(=O)OC4CCCC4	11	Z
19731796	AKOS000653322	CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)c3ccncc3)C(=O)OC4CCCC4	11	Z
20446904	AKOS001895423	c1cc(ccc1/C=C(/C(=O)c2ccc(cc2Cl)Cl)\n3cncn3)F	5	Z
20661987	AKOS002327594	Cc1ccc(cc1n2c3c(cn2)c(ncn3)NCc4cccnc4)Cl	10	Z
38154189	AKOS002124537	COC(=O)c1c(ccs1)NC(=O)CSCCc2ccncc2	7	Z
55207909	AKOS001749208	c1cc(cnc1)CNCC(=O)Nc2ccc(cc2)OC(F)(F)F	9	Z

Non-Unique/Empty Catalogs

Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

#	ZINC ID	SMILES (Find Similar)	Score
1	30617 30617	Select Similar	Z
2	51057 51057	Select Similar	Z
3	74519 74519	Select Similar	Z
4	75390 75390	Select Similar	Z
5	75405 75405	Select Similar	Z
6	79236 79236	Select Similar	Z
7	88394 88394	Select Similar	Z
8	88477 88477	Select Similar	Z
9	110441 110441	Select Similar	Z
10	112120 112120	Select Similar	Z
11	112127 112127	Select Similar	Z
12	115458 115458	Select Similar	Z
13	121602 121602	Select Similar	Z
14	168815 168815	Select Similar	Z
15	179823 179823	Select Similar	Z
16	179824 179824	Select Similar	Z
17	190413 190413	Select Similar	Z
18	197177 197177	Select Similar	Z
19	197508 197508	Select Similar	Z
20	198316 198316	Select Similar	Z
21	203291 203291	Select Similar	Z
22	203295 203295	Select Similar	Z
23	203980 203980	Select Similar	Z
24	208790 208790	Select Similar	Z
25	220723 220723	Select Similar	Z
26	227224 227224	Select Similar	Z
27	227350 227350	Select Similar	Z
28	265194 265194	Select Similar	Z
29	265195 265195	Select Similar	Z
30	303012 303012	Select Similar	Z
31	322678 322678	Select Similar	Z
32	327333 327333	Select Similar	Z
33	342908 342908	Select Similar	Z
34	352987 352987	Select Similar	Z
35	367876 367876	Select Similar	Z
36	376363 376363	Select Similar	Z
37	378004 378004	Select Similar	Z
38	378007 378007	Select Similar	Z
39	382662 382662	Select Similar	Z
40	382668 382668	Select Similar	Z
41	395295 395295	Select Similar	Z
42	429100 429100	Select Similar	Z
43	429799 429799	Select Similar	Z
44	434034 434034	Select Similar	Z
45	434035 434035	Select Similar	Z
46	441866 441866	Select Similar	Z
47	461748 461748	Select Similar	Z
48	480185 480185	Select Similar	Z
49	484119 484119	Select Similar	Z
50	484121 484121	Select Similar	Z
51	519945 519945	Select Similar	Z
52	611571 611571	Select Similar	Z
53	613276 613276	Select Similar	Z
54	614403 614403	Select Similar	Z
55	614405 614405	Select Similar	Z
56	617766 617766	Select Similar	Z
57	631179 631179	Select Similar	Z
58	644733 644733	Select Similar	Z
59	644735 644735	Select Similar	Z
60	644736 644736	Select Similar	Z
61	644737 644737	Select Similar	Z
62	645510 645510	Select Similar	Z
63	645511 645511	Select Similar	Z
64	645568 645568	Select Similar	Z
65	645569 645569	Select Similar	Z
66	645593 645593	Select Similar	Z
67	646555 646555	Select Similar	Z
68	646612 646612	Select Similar	Z
69	655042 655042	Select Similar	Z
70	656746 656746	Select Similar	Z
71	692634 692634	Select Similar	Z
72	702516 702516	Select Similar	Z
73	703158 703158	Select Similar	Z
74	703159 703159	Select Similar	Z
75	703161 703161	Select Similar	Z
76	720583 720583	Select Similar	Z
77	752132 752132	Select Similar	Z
78	752133 752133	Select Similar	Z
79	757130 757130	Select Similar	Z
80	758836 758836	Select Similar	Z
81	758838 758838	Select Similar	Z
82	804100 804100	Select Similar	Z
83	804816 804816	Select Similar	Z
84	811601 811601	Select Similar	Z
85	879613 879613	Select Similar	Z
86	971926 971926	Select Similar	Z
87	991957 991957	Select Similar	Z
88	1010695 1010695	Select Similar	Z
89	1014196 1014196	Select Similar	Z
90	1014197 1014197	Select Similar	Z
91	1082070 1082070	Select Similar	Z
92	1082071 1082071	Select Similar	Z
93	1082072 1082072	Select Similar	Z
94	1082073 1082073	Select Similar	Z
95	1111673 1111673	Select Similar	Z
96	1111674 1111674	Select Similar	Z
97	1244973 1244973	Select Similar	Z
98	1266780 1266780	Select Similar	Z
99	1266781 1266781	Select Similar	Z
100	1304704 1304704	Select Similar	Z
101	1430751 1430751	Select Similar	Z
102	1430752 1430752	Select Similar	Z
103	1804200 1804200	Select Similar	Z
104	1895750 1895750	Select Similar	Z
105	2080197 2080197	Select Similar	Z
106	2080198 2080198	Select Similar	Z
107	2080204 2080204	Select Similar	Z
108	2203777 2203777	Select Similar	Z
109	2332322 2332322	Select Similar	Z
110	2332324 2332324	Select Similar	Z
111	2374304 2374304	Select Similar	Z
112	2494147 2494147	Select Similar	Z
113	2704780 2704780	Select Similar	Z
114	2704782 2704782	Select Similar	Z
115	2748319 2748319	Select Similar	Z
116	2774194 2774194	Select Similar	Z
117	2790470 2790470	Select Similar	Z
118	2875216 2875216	Select Similar	Z
119	2966695 2966695	Select Similar	Z
120	3037710 3037710	Select Similar	Z
121	3037712 3037712	Select Similar	Z
122	3106044 3106044	Select Similar	Z
123	3127350 3127350	Select Similar	Z
124	3627240 3627240	Select Similar	Z
125	3905225 3905225	Select Similar	Z
126	3906359 3906359	Select Similar	Z
127	3908526 3908526	Select Similar	Z
128	4014086 4014086	Select Similar	Z
129	4014090 4014090	Select Similar	Z
130	4057998 4057998	Select Similar	Z
131	4117273 4117273	Select Similar	Z
132	4144503 4144503	Select Similar	Z
133	4168182 4168182	Select Similar	Z
134	4168183 4168183	Select Similar	Z
135	4385845 4385845	Select Similar	Z
136	4385846 4385846	Select Similar	Z
137	4391373 4391373	Select Similar	Z
138	4450519 4450519	Select Similar	Z
139	4624066 4624066	Select Similar	Z
140	4626577 4626577	Select Similar	Z
141	4626578 4626578	Select Similar	Z
142	4629065 4629065	Select Similar	Z
143	4646376 4646376	Select Similar	Z
144	4646377 4646377	Select Similar	Z
145	4708287 4708287	Select Similar	Z
146	4708288 4708288	Select Similar	Z
147	4708305 4708305	Select Similar	Z
148	4733453 4733453	Select Similar	Z
149	4733457 4733457	Select Similar	Z
150	4733459 4733459	Select Similar	Z
151	4733460 4733460	Select Similar	Z
152	4734330 4734330	Select Similar	Z
153	4762462 4762462	Select Similar	Z
154	4902726 4902726	Select Similar	Z
155	4909728 4909728	Select Similar	Z
156	4911342 4911342	Select Similar	Z
157	4912565 4912565	Select Similar	Z
158	4924616 4924616	Select Similar	Z
159	5151836 5151836	Select Similar	Z
160	5687372 5687372	Select Similar	Z
161	6013476 6013476	Select Similar	Z
162	6144539 6144539	Select Similar	Z
163	6144540 6144540	Select Similar	Z
164	6161580 6161580	Select Similar	Z
165	6445314 6445314	Select Similar	Z
166	6721148 6721148	Select Similar	Z
167	6732399 6732399	Select Similar	Z
168	6732400 6732400	Select Similar	Z
169	6732469 6732469	Select Similar	Z
170	6732470 6732470	Select Similar	Z
171	6736834 6736834	Select Similar	Z
172	6747806 6747806	Select Similar	Z
173	6747807 6747807	Select Similar	Z
174	6749527 6749527	Select Similar	Z
175	6780638 6780638	Select Similar	Z
176	6781926 6781926	Select Similar	Z
177	6781927 6781927	Select Similar	Z
178	6803047 6803047	Select Similar	Z
179	6803480 6803480	Select Similar	Z
180	6805467 6805467	Select Similar	Z
181	6810755 6810755	Select Similar	Z
182	6919911 6919911	Select Similar	Z
183	8383491 8383491	Select Similar	Z
184	8415433 8415433	Select Similar	Z
185	8415436 8415436	Select Similar	Z
186	8553380 8553380	Select Similar	Z
187	8845448 8845448	Select Similar	Z
188	8845449 8845449	Select Similar	Z
189	8845462 8845462	Select Similar	Z
190	8845463 8845463	Select Similar	Z
191	8965147 8965147	Select Similar	Z
192	8996974 8996974	Select Similar	Z
193	9144920 9144920	Select Similar	Z
194	9195214 9195214	Select Similar	Z
195	9432012 9432012	Select Similar	Z
196	9601971 9601971	Select Similar	Z
197	9601972 9601972	Select Similar	Z
198	9601977 9601977	Select Similar	Z
199	9601978 9601978	Select Similar	Z
200	9602013 9602013	Select Similar	Z
201	9602014 9602014	Select Similar	Z
202	9609187 9609187	Select Similar	Z
203	9609199 9609199	Select Similar	Z
204	9730892 9730892	Select Similar	Z
205	9730893 9730893	Select Similar	Z
206	9781416 9781416	Select Similar	Z
207	12360678 12360678	Select Similar	Z
208	13125285 13125285	Select Similar	Z
209	13125286 13125286	Select Similar	Z
210	13496891 13496891	Select Similar	Z
211	13496892 13496892	Select Similar	Z
212	13520077 13520077	Select Similar	Z
213	13878959 13878959	Select Similar	Z
214	13882205 13882205	Select Similar	Z
215	15938256 15938256	Select Similar	Z
216	17282141 17282141	Select Similar	Z
217	19325360 19325360	Select Similar	Z
218	19731794 19731794	Select Similar	Z
219	19731796 19731796	Select Similar	Z
220	19893022 19893022	Select Similar	Z
221	19893025 19893025	Select Similar	Z
222	20192372 20192372	Select Similar	Z
223	20192376 20192376	Select Similar	Z
224	20446904 20446904	Select Similar	Z
225	20447474 20447474	Select Similar	Z
226	20661987 20661987	Select Similar	Z
227	22134213 22134213	Select Similar	Z
228	22134215 22134215	Select Similar	Z
229	23283076 23283076	Select Similar	Z
230	38154189 38154189	Select Similar	Z
231	55207909 55207909	Select Similar	Z
232	55292101 55292101	Select Similar	Z

Not for Sale:

The following compounds are not availabile from any known vendors:

#	ZINC ID	SMILES (Find Similar)	Score
1	439449 439449	Select Similar	Z
2	2494391 2494391	Select Similar	Z
3	2497081 2497081	Select Similar	Z
4	2497135 2497135	Select Similar	Z
5	3633301 3633301	Select Similar	Z
6	4008085 4008085	Select Similar	Z
7	4164965 4164965	Select Similar	Z
8	4165632 4165632	Select Similar	Z
9	4623560 4623560	Select Similar	Z
10	5127280 5127280	Select Similar	Z
11	6746811 6746811	Select Similar	Z
12	71933249 71933249	Select Similar	Z