ZINC 12

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Quick Search ZINC ID or SMILES

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: 408 are for sale from 1 different vendors
Not Available Compounds: 0 are not for sale

Default (Public by philippe) Default Download Show All

Catalogs to Purchase

Available Catalogs

NCI Plated 2007 — 306 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
537872	53212	c1cc(cc(c1)C(=O)Nc2ccc(cc2)C3=[NH+]CCN3)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
643046	619103 515776	C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO	47	Z
696123	156841	c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)CCc3ccc(cc3)NS(=O)(=O)c4ccccc4	12	Z
1555636	151838	c1ccc(cc1)COCC(CCn2cnc3c2ncnc3N)COCc4ccccc4	Only	Z
1559948	152439	c1cc(c[n+](c1)CC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)C[n+]4cccc(c4)CO)CO	Only	Z
1561350	273898	c1cc(ccc1S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(cc2)Cl)Cl	Only	Z
1563776	280887	c1ccc(cc1)C(c2ccccc2)C(=O)CCS(=O)(=O)CCC(=O)C(c3ccccc3)c4ccccc4	Only	Z
1565667	290953	COc1ccc(cc1)Oc2c3cccnc3c(cc2OC)NCCCCCN4C(=O)c5ccccc5C4=O	Only	Z
1568770	308815	CCOC(=O)c1ccc(cc1)NCc2ccc(cc2)CNc3ccc(cc3)C(=O)OCC	3	Z
1571881	318145	CCOC(=O)C(C(=O)OCC)SC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c2ccccc2)Cl	Only	Z
1572695	321211	Cc1cnc(nc1c2ccccc2O)NCCCCCCNc3ncc(c(n3)c4ccccc4O)C	Only	Z
1577800	337972	CCCCOc1ccc(cc1)c2cnc(o2)c3ccc(cc3)c4ncc(o4)c5ccc(cc5)OCCCC	Only	Z
1578291	338686	Cc1cnc(nc1c2ccccc2O)NCCCCNc3ncc(c(n3)c4ccccc4O)C	Only	Z
1582305	352754	Cc1c(c(c(n1c2ccccc2)c3ccccc3)COC(=O)NC(C)C)COC(=O)NC(C)C	Only	Z
1582410	353436	CCOC(=O)COc1cc2c(cc1[C@H](C)c3ccc(c(c3)OC)OCc4ccccc4)OCO2	Only	Z
1582527	353731	Cc1ccc(cc1)S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c3ccccc3)[N+](=O)[O-]	Only	Z
1585940	366104	c1ccc(cc1)C(=O)c2ccccc2NC[C@H](COc3ccc(cc3C(=O)c4ccccc4)Cl)O	Only	Z
1585979	366132	CC(C)NC(=O)OCc1c(c(n(c1c2ccccc2)C)c3ccccc3)COC(=O)NC(C)C	Only	Z
1586938	368138	CC(C)NC(=O)OCc1c2n(c(c1COC(=O)NC(C)C)c3ccc(c(c3)Cl)Cl)CSC2	Only	Z
1588430	372000	c1ccc(cc1)NC(=O)NC(=O)CSc2nnc(n2c3ccccc3)CSc4ccc(cc4)Cl	Only	Z
1591128	380726	CC(C)NC(=O)OCc1c(c2n(c1c3ccc(c(c3)Cl)Cl)CCS2)COC(=O)NC(C)C	Only	Z
1592459	382794	COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)c3ccccc3NC(=O)OCc4ccccc4	Only	Z
1609166	605762	CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(=O)c2ccc3ccccc3c2O	17	Z
1611876	611512	c1ccc(c(c1)Cn2cccc2C(=O)N)SSc3ccccc3Cn4cccc4C(=O)N	Only	Z
1612516	614519	CC(C)NC(=O)OCc1c2cccn2c3c(c1COC(=O)NC(C)C)cnn3c4ccccc4	Only	Z
1624505	635545	CCc1cccc(c1NC(=O)C(=O)[C@@H](CC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)OC)C(C)C	Only	Z
1624574	635823	Cc1ccc(cc1)NC(=O)OC[C@@H](COc2ccc(cc2)Cl)OC(=O)Nc3ccc(cc3)C	Only	Z
1628542	642615	c1ccc(cc1)NNC(=O)Cc2csc(n2)c3nc(cs3)CC(=O)NNc4ccccc4	Only	Z
1629221	644608	COc1ccc(cc1)[C@@H](C(c2ccc(cc2)OCc3ccccc3)c4ccc(cc4)OCc5ccccc5)O	Only	Z
1629229	644616	CC(C)(C)C(=O)Oc1ccc(cc1)/C(=C(/c2ccc(cc2)OC)\Cl)/c3ccc(cc3)OCC[NH+](C)C	Only	Z
1633549	653142	c1ccc(c(c1)CCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(c4=O)CCc5ccccc5CO)CO	Only	Z
1637480	659820	COc1ccc(cc1OC)CCNC(=S)NC=C(C(=O)c2ccccc2)C(=O)c3ccccc3	Only	Z
1641821	665870	CC[C@H](C)N1CN(C2(C1=O)CC[NH+](CC2)CCCC3(OCCO3)c4ccc(cc4)F)c5ccccc5	Only	Z
1643257	669577	CCOP(=O)([C@@H](Cc1ccc(c(c1)OC)OC)N=C(c2ccccc2)c3ccccc3)OCC	Only	Z
1643424	669654	CC[C@@H](C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)[NH2+][C@H](C)c4ccccc4	Only	Z
1644220	671100	CCOC(=O)CC(=O)CSc1c(c(=O)n(c(=S)n1c2ccccc2)c3ccccc3)c4ccccc4	Only	Z
1644233	671113	CCOC(=O)c1c(=O)n(c(=S)n(c1SC(=O)c2ccc(cc2)OC)c3ccccc3)c4ccccc4	Only	Z
1645444	675362	C[C@H]1[C@@H](c2cc3c(cc2O[C@@H]1[NH2+]CCc4ccccc4)OCO3)c5cc(c(c(c5)OC)OC)OC	Only	Z
1655706	166454	Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N	21	Z
1666226	34241	c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NCNc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N	Only	Z
1669626	36882	CCOC(=O)c1ccc(cc1)NP(=S)(c2ccccc2)Nc3ccc(cc3)C(=O)OCC	Only	Z
1680978	48710	Cc1cc(c(c(c1)Cc2cc(cc(c2OC(=O)C)Cc3cc(cc(c3OC(=O)C)C)C)C(=O)C)OC(=O)C)C	2	Z
1681991	50468	CC(=O)Nc1cc(ccc1C(=O)Nc2cccc(c2)C3=[NH+]CCN3)C(=O)Nc4cccc(c4)C5=[NH+]CCN5	Only	Z
1682416	51187	c1cc(cc(c1)NC(=O)c2cccc(c2)C(=O)Nc3cccc(c3)C4=[NH+]CCN4)C5=[NH+]CCN5	Only	Z
1682953	51901	c1ccc(cc1)N(CCO)c2nc(nc(n2)N(CCO)c3ccccc3)N(CCO)c4ccccc4	Only	Z
1684441	53306	c1cc(ccc1C(=O)Nc2ccc(cc2)NC3=[NH+]CCN3)C(=O)Nc4ccc(cc4)NC5=[NH+]CCN5	Only	Z
1685590	55158	c1cc(ccc1CC2=[NH+]CCN2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)CC5=[NH+]CCN5	Only	Z
1687300	5916	CCCCCc1c(c(cc2c1Oc3cc(cc(c3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)[O-]	8	Z
1691645	63669	CCOc1ccc(cc1C(=O)Nc2ccc(cc2)C3=[NH+]CCN3)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
1691656	63689	c1cc(cc(c1)NC(=O)c2ccc(cc2)C3=[NH+]CCN3)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
1692399	65372	Cc1cc(ccc1NC(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3C)C4=[NH+]CCN4)C5=[NH+]CCN5	Only	Z
1694624	67734	c1cc(ccc1C2=[NH+]CCCN2)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(cc4)C5=[NH+]CCCN5	Only	Z
1694629	67736	c1cc(ccc1C2=[NH+]CCCN2)NC(=O)c3ccc(cc3)NC(=O)Nc4ccc(cc4)C5=[NH+]CCCN5	Only	Z
1696460	70700	C[C@@H]1CNC(=[NH+]1)Cc2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)CC5=[NH+][C@@H](CN5)C	Only	Z
1698490	72381	c1cc(c(c(c1)C(=O)Nc2ccc(cc2)C3=[NH+]CCN3)Cl)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
1698491	72382	CSc1cc(ccc1C(=O)Nc2ccc(cc2)C3=[NH+]CCN3)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
1698596	72582	c1cc(ccc1C(=O)Nc2ccc(cc2)OCC3=[NH+]CCN3)C(=O)Nc4ccc(cc4)OCC5=[NH+]CCN5	Only	Z
1698597	72583	c1cc(ccc1CC2=[NH+]CCCN2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)CC5=[NH+]CCCN5	Only	Z
1698733	72814	CC(C)(C)c1ccc(cc1)OP(=O)(Oc2ccccc2C(=O)OC)Oc3ccccc3C(=O)OC	Only	Z
1698989	73283	c1cc(ccc1CCC(=O)Nc2ccc(cc2)C3=[NH+]CCN3)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5	Only	Z
1699287	73735	COc1cc(ccc1Nc2ccccc2C(=O)[O-])c3ccc(c(c3)OC)Nc4ccccc4C(=O)[O-]	5	Z
1701216	109114	c1ccc(cc1)CC(Cc2ccccc2)(C(=O)NCc3ccccc3)C(=O)NCc4ccccc4	Only	Z
1702740	110301	CCN(CC)c1ccc(cc1)NC(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3)N(CC)CC	11	Z
1703258	111350	c1ccc(cc1)S(=O)(=O)c2ccccc2CCCCCCc3ccccc3S(=O)(=O)c4ccccc4	Only	Z
1703580	112352	CCCN(CCC)S(=O)(=O)c1ccc(cc1)NC(=O)OC(c2ccccc2)c3ccccc3	Only	Z
1704090	113089	CC[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cc(cc5)N)CC	Only	Z
1706116	10203	COc1cc(cc(c1OC)OC)C(=O)Oc2ccccc2OC(=O)c3cc(c(c(c3)OC)OC)OC	Only	Z
1710111	120641	c1ccc2c(c1)ccc(c2O)C(=O)CCCCCCCCC(=O)c3ccc4ccccc4c3O	4	Z
1712142	122791	CCOC(=O)c1ccc(cc1)NP(=O)(Nc2ccc(cc2)C(=O)OCC)Oc3ccccc3	Only	Z
1713828	77886	CN1CC[NH+]=C1c2ccc(cc2)NC(=O)Nc3ccc(cc3)NC(=O)Nc4ccc(cc4)C5=[NH+]CCN5C	Only	Z
1717094	128706	CCOC(=O)CN(c1c(c(c(s1)C)c2ccccc2)C(=O)OCC)S(=O)(=O)c3ccc(cc3)C	Only	Z
1717101	128719	CCOC(=O)CN(c1c(c(cs1)c2ccccc2)C(=O)OCC)S(=O)(=O)c3ccc(cc3)C	Only	Z
1717946	131201	c1ccc(cc1)C(CCCCC(C[NH3+])(c2ccccc2)c3ccccc3)(C[NH3+])c4ccccc4	Only	Z
1718924	78652	CN1CC[NH+]=C1c2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=[NH+]CCN5C	Only	Z
1720516	176046	c1ccc2c(c1)C(=O)N(C2=O)CCOCCOCCOCCN3C(=O)c4ccccc4C3=O	14	Z
1735569	201717	c1ccc(cc1)[C@H](C(=O)[O-])Nc2ccc(cc2)Cc3ccc(cc3)N[C@H](c4ccccc4)C(=O)[O-]	Only	Z
1735581	201733	c1ccc(cc1)[C@H](C(=O)[O-])Nc2ccc(cc2)Oc3ccc(cc3)N[C@H](c4ccccc4)C(=O)[O-]	Only	Z
1736047	88642	c1ccc2cc(ccc2c1)NC(=O)[C@@H](CSSC[C@@H](C(=O)Nc3ccc4ccccc4c3)[NH3+])[NH3+]	13	Z
1750353	212140	Cc1ccc(cc1)S(=O)(=O)N(CCCc2c(nc(nc2Cl)N)Cc3ccccc3)c4ccccc4	Only	Z
1752317	85194	CN1CC[NH+]=C1c2ccc(cc2)NC(=O)c3ccc(c(c3)Cl)C(=O)Nc4ccc(cc4)C5=[NH+]CCN5C	Only	Z
1760479	85538	Cc1c(cc(c(c1C[NH+]2CCCC2)O)C(C)(C)C)S(=O)c3cc(c(c(c3C)C[NH+]4CCCC4)O)C(C)(C)C	Only	Z
1760512	85591	c1cc(ccc1C2=[NH+]CCN2)NC(=O)CSCSCC(=O)Nc3ccc(cc3)C4=[NH+]CCN4	Only	Z
1761835	151197	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOc2ccccc2NS(=O)(=O)c3ccc(cc3)N	Only	Z
1768939	18214	CC[NH+](CC)CCOC(=O)C(c1ccc(cc1)c2ccccc2)(c3ccc(cc3)c4ccccc4)O	Only	Z
1859045	282169	COc1ccc(cc1OC)Cc2c3cc(c(cc3cc[n+]2Cc4ccccc4)NCc5ccccc5)OC	Only	Z
1866156	287081	CCCCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)OC(=O)c3ccc(cc3)N	Only	Z
2024448	296950	Cc1ccc(cc1)S(=O)(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc3ccccc3	Only	Z
3873398	376450	CCOC(=O)Nc1ccc(cc1)SC[C@@H]2CO[C@](O2)(Cn3ccnc3)c4ccc(cc4Cl)Cl	Only	Z
4216702	3578	CCCCCC(CCCCC)(CCCCCCCCC1=C(C(=O)c2ccccc2C1=O)[O-])O	Only	Z
4366367	12271	CCCC[NH+](CCO)Cc1cc(ccc1O)Nc2c3ccccc3nc4c2cccc4	Only	Z
4403423	2187	c1ccc(cc1)COC(=O)CC(CC(=O)OCc2ccccc2)(C(=O)OCc3ccccc3)O	10	Z
4403867	2992	CCOC(=O)C(CCc1ccc(cc1)[N+](=O)[O-])(CCc2ccc(cc2)[N+](=O)[O-])C(=O)OCC	Only	Z
4403874	3015	CCOC(=O)C(CCc1ccccc1[N+](=O)[O-])(CCc2ccccc2[N+](=O)[O-])C(=O)OCC	Only	Z
4409129	5345	CC(C)CCCCCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCCCCC(C)C	Only	Z
4416725	10593	CC[NH+](CC)CCC[C@H](Cc1ccccc1)Nc2c3ccc(cc3[nH+]c4c2cc(cc4)OC)Cl	Only	Z
4416947	11425	CC(C)(C)c1cc(c(c(c1)C2CCCCC2)O)C[NH+](CCO)Cc3cc(cc(c3O)C4CCCCC4)C(C)(C)C	Only	Z
4428693	13668	CCOC(=O)c1c(c([nH]c1Cc2c(c(c([nH]2)C(=O)OCC)C)C(=O)OCC)C(=O)OCC)C	3	Z
4430162	24545	CC[NH+](CC)CCNc1c2c(nc(c(n2)c3ccccc3)c4ccccc4)nc(n1)NCC[NH+](CC)CC	Only	Z
4522502	32464	CCN(CC)c1cccc(c1C)NC(=O)OCCOC(=O)Nc2cccc(c2C)N(CC)CC	Only	Z
4523065	43927	Cc1cc(ccc1C(c2ccccc2)c3ccc(cc3C)N(CCO)CCO)N(CCO)CCO	Only	Z
4527684	49489	CCOc1c(cccc1)/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2c(cccc2)OCC	4	Z
4527901	204644	COc1c(ccc(c1)/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2cc(c(cc2)O)OC)O	12	Z
4683195	16751	CCOC(=O)Oc1ccc(cc1OC)C(=O)OCCOC(=O)c2ccc(c(c2)OC)OC(=O)OCC	Only	Z
4683491	17599	CCC(=O)Oc1ccc(cc1OC(=O)CC)[C@H](C[NH+](C)C)OC(=O)C(c2ccccc2)c3ccccc3	Only	Z
4683887	18344	C[N+]1(CCC(CC1)CCC2CC[N+](CC2)(C)Cc3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)[N+](=O)[O-]	Only	Z
4683904	18357	C[N+]1(CCC(CC1)CCC2CC[N+](CC2)(C)Cc3ccc(cc3)C(=O)N)Cc4ccc(cc4)C(=O)N	Only	Z
4706026	48009	CCCC[NH+](CCCC)CCNc1ccc(c2c1c(=O)c3cc(ccc3s2)[N+](=O)[O-])C	Only	Z
4707429	60675	CCOc1cc(c(cc1N)OCC)C(c2ccccc2)c3cc(c(cc3OCC)N)OCC	Only	Z
4721211	51186	c1cc(cc(c1)NC(=O)CCCCCCCC(=O)Nc2cccc(c2)C3=[NH+]CCN3)C4=[NH+]CCN4	Only	Z
4721635	51920	CC(CCC(=O)[O-])(c1ccc(c(c1)C[NH+]2CCOCC2)O)c3ccc(c(c3)C[NH+]4CCOCC4)O	Only	Z
4723009	55229	COc1cc(cc(c1O)C[NH+]2CCOCC2)[C@@H]([C@H](c3cc(c(c(c3)OC)O)C[NH+]4CCOCC4)O)O	Only	Z
4723015	55230	CCOc1cc(cc(c1O)C[NH+]2CCOCC2)[C@@H]([C@H](c3cc(c(c(c3)OCC)O)C[NH+]4CCOCC4)O)O	Only	Z
4748294	29724	COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CSCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
4769018	30881	CCOC(=O)CCCC(=O)C(CCc1cccc2c1cccc2)(C(=O)OCC)C(=O)OCC	Only	Z
4769216	31862	CCN(CC)S(=O)(=O)c1ccc(cc1)OCCOc2ccc(cc2)S(=O)(=O)N(CC)CC	Only	Z
4771158	205580	Cc1ccc(c(c1)OC(=O)NCCCCCCNC(=O)Oc2cc(ccc2C(C)C)C)C(C)C	3	Z
4771165	205594	Cc1ccc(cc1NC(=O)OCCOc2ccccc2)NC(=O)OCCOc3ccccc3	3	Z
4783215	37465	Cc1ccc(cc1)S(=O)(=O)N(C)C(CCCOc2ccccc2)CCCOc3ccccc3	Only	Z
4783386	38066	CCOC(=O)C(Cc1ccc(c2c1cccc2)CC(C(=O)OCC)C(=O)OCC)C(=O)OCC	Only	Z
4795964	205428	Cc1ccc(cc1)CNC(=O)NCCCCCCNC(=O)NCc2ccc(cc2)C	3	Z
4803268	44280	CCCC[NH+](CCCC)C[C@H](COC(=O)Nc1cccc(c1)Cl)OC(=O)Nc2cccc(c2)Cl	2	Z
4804566	72196	c1ccc(cc1)C(=O)OCC(COC(=O)c2ccccc2)(COC(=O)c3ccccc3)[N+](=O)[O-]	4	Z
4806113	45828	CCCCCCNc1c2c([nH]c(n2)NCCCCCC)nc(n1)NCCCCCC	Only	Z
4821504	74588	COc1ccc2c(c1)c(c3ccc(cc3[nH+]2)Cl)NCCCNc4cc(cc5c4nccc5)OC	Only	Z
4823121	107304	CCCCOC(=S)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=S)OCCCC	Only	Z
4823461	108885	Cc1cccc(c1)NC(=O)OCCN(CCOC(=O)Nc2cccc(c2)C)c3cccc(c3)C	Only	Z
4823466	108886	Cc1ccc(cc1)NC(=O)OCCN(CCOC(=O)Nc2ccc(cc2)C)c3cccc(c3)C	Only	Z
4823470	108887	Cc1cccc(c1)N(CCOC(=O)Nc2ccc(cc2)OC)CCOC(=O)Nc3ccc(cc3)OC	Only	Z
4823555	109183	Cc1cccc(c1)N(CCOC(=O)Nc2cccc(c2)Cl)CCOC(=O)Nc3cccc(c3)Cl	Only	Z
4823558	109184	Cc1cccc(c1)N(CCOC(=O)Nc2ccc(cc2)Cl)CCOC(=O)Nc3ccc(cc3)Cl	Only	Z
4824780	116415	c1ccc(cc1)CNc2ccc(c(c2)NC(=O)CCC3OCCO3)OCc4ccccc4	Only	Z
4830950	129873	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@H](C(=O)[O-])Nc4ccccc4[N+](=O)[O-]	Only	Z
4830978	130815	COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(c(c4)C[NH2+]CCO)O	Only	Z
4877580	87843	c1ccc(cc1)CCC(=O)CC(=O)CCCCCC(=O)CC(=O)CCc2ccccc2	Only	Z
4878300	91853	c1ccc(cc1)C(=O)CC(=O)CC(=O)c2ccc(cc2)C(=O)CC(=O)CC(=O)c3ccccc3	Only	Z
4896451	80132	c1ccc(cc1)COC(=O)C2(CCCC2)NC(=O)C3(CCCC3)NC(=O)CNC(=O)OCc4ccccc4	Only	Z
4900534	86698	c1ccc(cc1)C2(CC[NH2+]CC2)CNC(=O)CCCCCCCCC(=O)NCC3(CC[NH2+]CC3)c4ccccc4	Only	Z
4900554	86746	c1ccc(cc1)CSC([C@@H]([C@@H]([C@@H](COC(=O)c2ccccc2)O)O)O)SCc3ccccc3	Only	Z
4946120	102814	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]([C@@H](CC4SCCS4)O)O	Only	Z
4962733	131402	COc1ccc(cc1)N2CC[NH+](CC2)C[C@@H](COc3ccc(cc3)C(=O)Cc4ccccc4)O	Only	Z
4963581	132389	c1ccc2c(c1)C(=O)N(C2=O)C[NH+]3CCC(CC3)CCCC4CC[NH+](CC4)CN5C(=O)c6ccccc6C5=O	3	Z
4963710	107229	CC(=CCc1cc(c(c2c1c(=O)c3c(o2)cc(c(c3O)C(C)(C)C=C)OC(=O)C)OC(=O)C)OC(=O)C)C	Only	Z
4974262	96937	COc1ccc(cc1OC)CC[NH+]2[C@@H](CCC[C@@H]2CC(=O)c3ccccc3)CC(=O)c4ccccc4	Only	Z
4974284	97107	CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)N(CCC=C)S(=O)(=O)c2ccc(cc2)C	Only	Z
4975068	100304	CCC[C@H]([C@H](CC)CNC(=O)Nc1cccc2c1cccc2)N(C)C(=O)Nc3cccc4c3cccc4	Only	Z
4975108	100781	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(c(=O)[nH]c4=O)N(CCO)CCO	Only	Z
4990917	108882	c1ccc(cc1)C[NH+](CCOC(=O)Nc2ccc(cc2)Cl)CCOC(=O)Nc3ccc(cc3)Cl	Only	Z
4990919	108883	c1ccc(cc1)C[NH+](CCOC(=O)Nc2cccc(c2)Cl)CCOC(=O)Nc3cccc(c3)Cl	Only	Z
4991067	109185	Cc1ccc(cc1)NC(=O)OCC[NH+](CCOC(=O)Nc2ccc(cc2)C)Cc3ccccc3	Only	Z
4991621	110355	c1cc(ccc1C(=O)OCCCCCCCCOC(=O)c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]	Only	Z
4991630	110362	c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCCCCCCCOC(=O)c2cccc(c2)[N+](=O)[O-]	Only	Z
5004756	116405	c1ccc(cc1)CN(c2ccc(c(c2)NC(=O)CCC3OCCO3)OCc4ccccc4)N=O	Only	Z
5004776	116451	CC(=O)[C@@H](C(c1ccc2c(c1)OCO2)[C@H](C(=O)C)C(=O)NCc3ccccc3)C(=O)NCc4ccccc4	Only	Z
5023244	164077	C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	3	Z
5023255	164078	c1ccc(cc1)C[C@@H](C(=O)OCc2ccccc2)NC(=O)CCNC(=O)OCc3ccccc3	3	Z
5023540	164671	C[C@H](C(=O)OCc1ccccc1)NC(=O)[C@@H](CSCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
5024073	165985	CCOC(=O)CCCN(c1c(c(c(s1)C)c2ccccc2)C(=O)OCC)S(=O)(=O)c3ccc(cc3)C	Only	Z
5062893	169125	CC(C)[C@H](C(=O)OC)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc2ccccc2	Only	Z
5062896	169126	c1ccc(cc1)COC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CNC(=O)OCc3ccccc3	3	Z
5065021	171775	CCOC(=O)CCCN(c1c(c(cs1)c2ccccc2)C(=O)OCC)C(=O)c3ccccc3	Only	Z
5065164	172265	c1cc(cc(c1)Cl)NC(=O)NCCC[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2CNC(=O)Nc4cccc(c4)Cl	Only	Z
5082318	127678	CCOC(C(=O)N[C@H](Cc1ccccc1NC(=O)c2ccccc2)c3ccc4c(c3)OCO4)OCC	Only	Z
5082425	127737	CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)[NH3+]	Only	Z
5084781	129156	CC(C)[C@H](C(=O)OC)NC(=O)[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)[NH3+]	Only	Z
5085927	144250	CCOC(=O)C(Cc1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)(C(=O)OCC)NC(=O)C	Only	Z
5104250	148833	c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)/C=C(\C(=O)N)/NC(=O)c4ccccc4	Only	Z
5119254	129931	c1ccc(cc1)C(c2ccccc2)[NH2+][C@H](CSC(c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)[O-]	Only	Z
5119255	129932	c1ccc(cc1)COC(=O)N[C@H](CSC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)NN	Only	Z
5124813	156092	CCOC(=O)C(Cc1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)(C(=O)OCC)NC=O	Only	Z
5179499	173906	CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)CCl)NC(=O)CNC(=O)OCc2ccccc2	Only	Z
5181155	209019	c1ccc(cc1)CCNC(=S)N2CCC(CC2)CCCC3CCN(CC3)C(=S)NCCc4ccccc4	4	Z
5188485	176044	c1ccc2c(c1)C(=O)N(C2=O)CCCCCCCCCCCCCCN3C(=O)c4ccccc4C3=O	Only	Z
5315117	623881	CC1=NC(=C([C@@H](C1C(=O)Nc2ccccc2OC)c3ccc(cc3)C(C)C)C(=O)Nc4ccccc4OC)C	Only	Z
5316637	372638	CC1=NC(=C([C@H](C1C(=O)NCc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)NCc4ccccc4)C	2	Z
5328305	201979	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCCCCCN4C(=O)c5cccc6c5c(ccc6)C4=O	5	Z
5328874	203914	CCOC(=O)c1ccc(cc1)NC(=O)CCCCCCCCC(=O)Nc2ccc(cc2)C(=O)OCC	5	Z
5328886	203951	CC(C)(C)c1ccc(cc1)OC(=O)NCCCCCCNC(=O)Oc2ccc(cc2)C(C)(C)C	Only	Z
5329260	204531	CC(=O)c1cccc(c1)NC(=O)CCCCCCCCC(=O)Nc2cccc(c2)C(=O)C	5	Z
5329393	204629	c1ccc2c(c1)cccc2NC(=O)NCCCCCCNC(=O)Nc3cccc4c3cccc4	10	Z
5330041	205426	CN(Cc1ccc(cc1)Cl)C(=O)NCCCCCCNC(=O)N(C)Cc2ccc(cc2)Cl	3	Z
5330048	205427	c1cc(c(cc1CNC(=O)NCCCCCCNC(=O)NCc2ccc(c(c2)Cl)Cl)Cl)Cl	Only	Z
5330109	205516	CCOc1ccc(cc1)NC(=O)CCCCCCCCC(=O)Nc2ccc(cc2)OCC	5	Z
5370857	270924	c1ccc2c(c1)C(=O)c3c(cc4c(c3C2=O)NCCN4CCO)NCC[NH2+]CCO	Only	Z
5390503	321454	c1ccc2c(c1)ccc(n2)NC(=S)NCCCCCCNC(=S)Nc3ccc4ccccc4n3	Only	Z
5390506	321457	Cc1ccc2c(c1)ccc(n2)NC(=S)NCCCCCCNC(=S)Nc3ccc4cc(ccc4n3)C	Only	Z
5424110	639366	CC[NH+](CC)C[C@@H](CNc1ccc(c2c1C(=O)c3ccccc3C2=O)NC[C@H]4CO4)O	Only	Z
5459062	341349	CC(C)(C)OC(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2	Only	Z
5461502	343729	CC(C)[C@H](C(=O)OCc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	3	Z
5479304	372650	CC1=NC(=C([C@H](C1C(=O)NCc2ccccc2)c3ccc(c(c3)OC)OC)C(=O)NCc4ccccc4)C	Only	Z
5479325	372943	CCc1c(c(nc(n1)N)N)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCCCCCCC[NH3+]	Only	Z
5485908	356107	CN(C)c1ccc2c(c1)nc3cc(ccc3c2SCC(=O)Nc4ccc(cc4)NS(=O)(=O)C)N(C)C	Only	Z
5486762	354677	Cc1ccc(cc1)S(=O)(=O)Oc2ccc3c(c2)c(=O)c4c(ccc(c4o3)CO)NCC[NH+](C)C	3	Z
5486807	355187	CC[NH+](CC)CCNc1ccc(c2c1c(=O)c3cc(ccc3o2)OS(=O)(=O)c4ccc(cc4)C)CO	Only	Z
5487777	377318	Cc1ccc(cc1)S(=O)(=O)Oc2ccc3c(c2)c(=O)c4c(ccc(c4s3)CO)NCC[NH+](C)C	Only	Z
5488075	382314	CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C)NC(=O)OCCc2ccccn2	Only	Z
5496228	351570	c1ccc(cc1)CCNC(=O)c2cccc3c2nc-4c(c(c(=O)cc4o3)N)C(=O)NCCc5ccccc5	Only	Z
5496977	354688	C1C2CC3CC1CC(C2)(C3)C(=O)NCCCCCCCCCCNC(=O)C45CC6CC(C4)CC(C6)C5	10	Z
5499766	329093	CCOC(=O)[C@H](CNc1ccc(cc1)OCc2ccccc2)NC(=O)c3ccccc3	Only	Z
5519541	360367	CCC(=O)Nc1nnc(s1)SCCCCCCCCCCSc2nnc(s2)NC(=O)CC	Only	Z
5519546	360372	c1ccc2c(c1)nc(s2)SCCCCCCCCCCCCSc3nc4ccccc4s3	Only	Z
5540217	678028	c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCC[NH+]4CCOCC4)NCCC[NH+]5CCOCC5	Only	Z
5545318	618854	CC1=C([C@H](C(=CN1)C(=O)Nc2ccccc2OC)/C=C/c3ccccc3)C(=O)Nc4ccccc4OC	Only	Z
5546260	633954	CC1=NC(=C([C@@H](C1C(=O)NCc2ccccc2)c3ccc(cc3)[N+](=O)[O-])C(=O)NCc4ccccc4)C	2	Z
5553396	368172	CC(=O)OCC(=C)C[C@H](CC(=C)C[C@H](OC(=O)C)Sc1ccccc1)S(=O)(=O)c2ccccc2	Only	Z
5554119	369882	Cc1cn(c(=O)[nH]c1=O)CCCCCCCCCCCCOc2c3c(ccc(=O)o3)cc4c2occ4	Only	Z
5554446	370466	c1cc(c[n+](c1)CCCCCC[n+]2cccc(c2)C(=O)N3CCC[C@@H]3C(=O)N)C(=O)N4CCC[C@@H]4C(=O)N	Only	Z
5567231	371732	c1ccc(cc1)CNC(=S)N2CCC(CC2)CCCC3CCN(CC3)C(=S)NCc4ccccc4	4	Z
5614943	602248	Cc1cc(cc(n1)Nc2ccc(c(c2)C[NH+]3CCCC3)O)Nc4ccc(c(c4)C[NH+]5CCCC5)O	Only	Z
5616157	633643	COc1cccc(c1)NC(=O)CC(=O)N2[C@@H](CC(=N2)N(CCC#N)c3ccc(cc3)Cl)c4ccccc4	Only	Z
5616167	633650	COc1ccc(cc1)NC(=O)CC(=O)N2[C@@H](CC(=N2)N(CCC#N)c3ccccc3Cl)c4ccccc4	Only	Z
5616177	633976	Cc1cccc(c1)N(CCC#N)C2=NN([C@@H](C2)c3ccccc3)C(=O)CC(=O)Nc4ccc(cc4)OC	Only	Z
5616183	633979	Cc1ccccc1N(CCC#N)C2=NN([C@@H](C2)c3ccccc3)C(=O)CC(=O)Nc4cccc(c4)OC	Only	Z
5618623	374654	c1cc(ccc1OCCCCCCCCCCOc2ccc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-]	Only	Z
5648805	319989	C[C@H](CC(C)C)NC(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N[C@H](C)CC(C)C	3	Z
5663269	380727	CC(C)NC(=O)OCc1c(c2n(c1c3ccc(c(c3)Cl)Cl)CC[S@]2=O)COC(=O)NC(C)C	Only	Z
5664007	326247	CC(C)NC(=O)OCc1c2n(c(c1COC(=O)NC(C)C)c3ccc(c(c3)Cl)Cl)C[C@@H](C2)O	Only	Z
5664077	382729	COc1ccc(cc1)C(=O)CC2=C3[C@H](NN(C3=O)c4ccccc4)N=C2CC(=O)c5ccc(cc5)OC	Only	Z
5706585	333451	c1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@@H](CSCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
5706845	334178	CCCC[C@H](C(=O)OCc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3	3	Z
5707039	336363	CC(C)[C@@H](C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NC(=O)OC(C)(C)C	3	Z
5707362	339328	c1cc2cccnc2c(c1)OCCOCCOCCOCCOc3cccc4c3nccc4	8	Z
5707441	339934	C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@@H]2C(=O)Nc3ccc4ccccc4c3)[NH3+]	Only	Z
5721993	634486	CC1=NC(=C([C@@H](C1C(=O)NCc2ccccc2)c3ccc(cc3)N(C)C)C(=O)NCc4ccccc4)C	Only	Z
5721996	634488	CC1=NC(=C([C@H](C1C(=O)NCc2ccccc2)c3ccc(c(c3)OC)O)C(=O)NCc4ccccc4)C	Only	Z
5722118	634660	CCc1cccc(c1NC(=O)C(=O)[C@H](CC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)OC)[C@@H](C)CC	Only	Z
5722607	635832	COc1ccccc1OC[C@H](COC(=O)Nc2ccccc2)OC(=O)Nc3ccccc3	Only	Z
5722659	636091	CC1=NC(=C([C@@H](C1C(=O)NCc2ccccc2)c3ccccc3[N+](=O)[O-])C(=O)NCc4ccccc4)C	Only	Z
5722729	636331	Cc1ccc(cc1)NC(=O)OC[C@H](COc2ccccc2OC)OC(=O)Nc3ccc(cc3)C	Only	Z
5722735	636340	CCC(=O)CCC1=Nc2nnc(n2C1=O)CCCCc3nnc4n3C(=O)C(=N4)CCC(=O)CC	Only	Z
5723191	637606	CC1=NC(=C([C@H](C1C(=O)Nc2ccccc2OC)c3ccc(cc3)N(C)C)C(=O)Nc4ccccc4OC)C	Only	Z
5723208	637626	CCOc1ccc(cc1)NC(=O)C2[C@H](C(=C(N=C2C)C)C(=O)Nc3ccc(cc3)OCC)c4ccccc4	Only	Z
5723293	637705	CCc1ccccc1NC(=O)C2[C@H](C(=C(N=C2C)C)C(=O)Nc3ccccc3CC)c4ccc5c(c4)OCO5	Only	Z
5723300	637710	CCc1ccccc1NC(=O)C2[C@H](C(=C(N=C2C)C)C(=O)Nc3ccccc3CC)c4cccc(c4)[N+](=O)[O-]	Only	Z
5724358	657663	CCc1cccc(c1NC(=O)/C(=C\C(=O)c2c(nc(s2)Nc3c(cccc3C(C)(C)C)CC)C)/[O-])C(C)C	Only	Z
5724384	658269	CCOc1ccc(cc1)Nc2nc(c(s2)/C(=C/C(=O)C(=O)Nc3ccc(cc3C(C)C)C(C)C)/[O-])C	Only	Z
5733616	656433	CCOC(=O)c1c(=O)n(c(=S)n(c1SCC[NH+]2CCCCC2)c3ccccc3)c4ccccc4	Only	Z
5733623	656435	CCOC(=O)c1c(=O)n(c(=S)n(c1SCCC[NH+]2CCCCC2)c3ccccc3)c4ccccc4	Only	Z
5741635	665873	CCOC(CCC[NH+]1CCC2(CC1)C(=O)N(CN2c3ccccc3)C)(c4ccc(cc4)F)OCC	Only	Z
5741841	669645	CC(=O)SCC[C@H](NC(=S)Nc1ccccc1)P(=O)(Oc2ccccc2)Oc3ccccc3	Only	Z
5741877	670678	CCOC(=O)CC[C@H](C(=O)OCC)NC(=O)c1ccc(cc1)Nc2c(nc3ccccc3n2)C(=O)OCC	Only	Z
5742341	675772	CCOC(=O)CC[C@H](C(=O)OCC)NC(=O)c1ccc(cc1)Nc2cnc3cc(ccc3n2)C(F)(F)F	Only	Z
5742693	407113	CC(C)CN(C(=O)Nc1ccccc1)N(CCOC(=O)Nc2ccccc2)C(=O)Nc3ccccc3	Only	Z
5743137	408133	CC(C)[NH2+]CCCNc1c2c(nc(c(n2)c3ccccc3)c4ccccc4)nc(n1)NCCC[NH2+]C(C)C	Only	Z
5759417	602947	CC1(OCCO1)C(C)(C)Cc2cc(on2)C(C)(C)Cc3cc(on3)C(C)(C)Cc4cc(on4)C(C)(C)CC#N	Only	Z
5759936	606412	CO[C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)N(c4ccccc4)O	Only	Z
5767446	615125	c1ccc(cc1)CCCCNC(=O)Cc2ccc(cc2)CC(=O)NCCCCc3ccccc3	Only	Z
5809477	619196	c1nc(c(c(n1)Cl)N)NCCCCCCCCCCCCNc2c(c(ncn2)Cl)N	Only	Z
5811728	645376	c1cc(ccc1C#N)OCCSCCCCCCCCCCSCCOc2ccc(cc2)C#N	Only	Z
5813537	625847	CCC(=O)[C@H](C)C1=Nc2nnc(n2C1=O)CCCCCCCc3nnc4n3C(=O)C(=N4)[C@@H](C)C(=O)CC	Only	Z
5845420	653929	COc1ccc(cc1)[C@H]2N(C(=O)/C(=C/c3cc(c(c(c3)OC)OC)OC)/S2)NC(=O)Cc4ccccc4	Only	Z
5887927	629621	c1c(nc(nc1Cl)N)NCCCCCCCCCCNc2cc(nc(n2)N)Cl	Only	Z
5888466	629738	c1ccc2c(c1)cccc2C(=O)NCCCCCCCCNC(=O)c3cccc4c3cccc4	2	Z
5940720	663304	COc1cc(c(c(c1)OC)CSC[C@@H](C(=O)[O-])NC(=O)OCC2c3ccccc3-c4c2cccc4)OC	Only	Z
5954558	665710	CCC(=O)C(CC[NH+]1CCC(CC1)N2c3ccccc3[C@@H](C2=O)CCC#N)(c4ccccc4)c5ccccc5	Only	Z
5954907	666117	CCOC(=O)n1c2ccccc2c(c1OC(=O)OCC)/C(=C/c3ccc(cc3)OC)/OC(=O)OCC	Only	Z
5956976	668022	COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CNC(=O)OCc2ccccc2)C(=O)OCc3ccccc3	Only	Z
5956988	668049	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)OCc2ccccc2)C(=O)OCc3ccccc3	Only	Z
5957064	668042	C[C@H](c1ccccc1)NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
6002604	669781	COC(=O)C1(CCCCCCC1)NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
6002638	669816	COC(=O)C1(CCCCCC1)NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	Only	Z
6003679	670562	COc1ccc(cc1)c2nnc(n2N)CCCCCCCCc3nnc(n3N)c4ccc(cc4)OC	Only	Z
6005358	672677	CC(C)(C)COC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	Only	Z
6007047	676427	COc1ccc2cc(ccc2c1)C[NH2+]CCCCCCCC[NH2+]Cc3ccc4cc(ccc4c3)OC	Only	Z
8602904	8360	CC[NH+](CC)CCC[C@@H](c1ccc(cc1)F)Nc2c3ccc(cc3[nH+]c4c2cc(cc4)OC)Cl	Only	Z
8602982	9688	CC[NH+](CC)CC[C@H](CNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)c4ccccc4	Only	Z
8614222	10591	CC[NH+](CC)CCC[C@@H](c1ccncc1)Nc2c3ccc(cc3[nH+]c4c2cc(cc4)OC)Cl	Only	Z
8614367	9319	Cc1cc(c2cc(ccc2[n+]1C)OC)NCCCCCCNc3cc([n+](c4c3cc(cc4)OC)C)C	Only	Z
8616456	77883	CNC(=[NH2+])c1ccc(cc1)NC(=[NH2+])c2ccc(cc2)c3ccc(cc3)C(=[NH2+])Nc4ccc(cc4)C(=[NH2+])NC	Only	Z
8619247	97954	c1ccc(cc1)COC(=O)N[C@H](Cc2ccc(cc2)OC(=O)OCc3ccccc3)C(=O)[O-]	4	Z
8637308	118539	c1ccc(cc1)COC(=O)C[C@H](C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	3	Z
8649288	108547	c1ccc(cc1)COc2ccc(cc2)/C=N/N3CCN(CC3)/N=C/c4ccc(cc4)OCc5ccccc5	Only	Z
8649297	108548	c1ccc(cc1)COc2cc(ccc2)/C=N/N3CCN(CC3)/N=C/c4cc(ccc4)OCc5ccccc5	Only	Z
8651833	669686	CC(=O)N/C(=C\c1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4)/P(=O)(OC)OC	Only	Z
8652420	522804	CC[C@H](CCC[NH+](CC)CCc1ccccc1)OC(=O)c2cc(c(c(c2)OC)OC)OC	Only	Z
8652985	627649	COc1ccc(c(c1OC)OC)[C@H](c2c3cc(c(cc3ccn2)OC)OC)OC(=O)c4ccccc4	Only	Z
8654925	115429	C[N+]1(CCOCC1)C[C@H](COc2ccc(cc2)Nc3ccc(c4c3C(=O)c5ccccc5C4=O)N)O	Only	Z
8655942	625350	c1ccc(cc1)[C@@H]([C@H](C(=O)OCc2ccc3c(c2)C(=O)c4ccccc4C3=O)O)NC(=O)c5ccccc5	Only	Z
8659708	401304	CCCCCCNc1[nH]c2c(n1)c(nc(n2)NCCCCCC)N3CCOCC3	Only	Z
8665575	672674	CC(C)(C)OC(=O)C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C(=O)OCc2ccccc2)NC(=O)OC(C)(C)C	Only	Z
8667853	402709	CCCC[NH+](CCCC)C[C@H](c1cc(nc2c1cccc2c3ccccc3)c4ccc(cc4)Cl)O	Only	Z
13217375	620023	Cc1cc(c(c(c1)CSCCc2[nH]c3ccccc3n2)O)CSCCc4[nH]c5ccccc5n4	Only	Z
14960245	91772	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@H](O4)n5cnc6c5ncnc6N)O	Only	Z
16890060	10594	CC[NH+](CC)CC[C@H](CNc1c2ccc(cc2nc3c1cc(c(c3)OC)OC)[N+](=O)[O-])c4ccccc4	Only	Z
16930889	129225	CCSC([C@H]([C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)O)O)O)SCC	Only	Z
16931423	129830	c1ccc(cc1)C(c2ccccc2)OC(=O)[C@H](CSC(c3ccccc3)(c4ccccc4)c5ccccc5)N	Only	Z
16931429	129833	c1ccc(cc1)COC(=O)N[C@H](CSC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)[O-]	Only	Z
16931497	129896	COc1ccc(cc1)C(c2ccc(cc2)OC)SC[C@H](C(=O)[O-])NC(=O)OCc3ccccc3	Only	Z
16931505	129898	c1ccc(cc1)COC(=O)N[C@H](CSC(c2ccc(cc2)Cl)c3ccc(cc3)Cl)C(=O)[O-]	Only	Z
16931509	129905	CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)NCC(=O)[O-]	Only	Z
16940029	349648	CCOC(=O)c1c(n(c(c1C(=O)OCC)C)/N=N/n2c(c(c(c2C)C(=O)OCC)C(=O)OCC)C)C	Only	Z
16940759	359684	COc1ccccc1[C@H](Nc2ccc(cc2)[N+](=O)[O-])P(=O)(Oc3ccccc3)Oc4ccccc4	Only	Z
16941216	366106	COC(=O)c1cc(ccc1OC[C@H](CNc2ccc(cc2C(=O)c3ccccc3)Cl)O)Cl	Only	Z
16941340	368139	CC(C)NC(=O)OCc1c2n(c(c1COC(=O)NC(C)C)c3ccc(c(c3)Cl)Cl)C[S@](=O)C2	Only	Z
16943429	401355	C=CCOC(=O)N([C@@H](Cc1ccc(cc1)O)C(=O)NNc2ccccc2)C(=O)OCC=C	Only	Z
16953082	623875	CC1=NC(=C([C@@H](C1C(=O)Nc2ccccc2OC)/C=C/c3ccccc3)C(=O)Nc4ccccc4OC)C	Only	Z
16958100	647420	c1ccc(cc1)[C@@H](C/C(=N/NC(=S)N)/CC[NH+]2CCCC2)[C@@H]3C(=O)C4=CCCC[C@@H]4OC3=O	Only	Z
16982933	30018	CC[NH+](CC)CCC[C@@H](c1cccs1)Nc2c3ccc(cc3[nH+]c4c2cc(cc4)OC)Cl	Only	Z
16982936	30019	CC[NH+](CC)CCC[C@@H](c1ccc(cc1)Cl)Nc2c3ccc(cc3[nH+]c4c2cc(cc4)OC)Cl	Only	Z
16982940	30020	CC[NH+](CC)CCC[C@@H](c1cccc2c1cccc2)Nc3c4ccc(cc4[nH+]c5c3cc(cc5)OC)Cl	Only	Z
16990972	51262	CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@H]1OC(=O)C)OC)COC(c2ccccc2)(c3ccccc3)c4ccccc4	Only	Z
17003788	74104	CC/C(=C(/CC)\c1ccc(cc1)OCC(=O)COC(=O)C)/c2ccc(cc2)OCC(=O)COC(=O)C	Only	Z
17003841	74341	CC/C(=C(/CC)\c1ccc(cc1)OCCN2CCOCC2)/c3ccc(cc3)OCCN4CCOCC4	Only	Z
17021245	114733	c1ccc(cc1)C(c2ccccc2)([C@H](CCC(=O)Nc3ccccc3)C(=O)Nc4ccccc4)O	Only	Z
17301227	40436	c1ccc2c(c1)CCCN2C[C@@H](CCCCCCCC[C@@H](CN3CCCc4c3cccc4)O)O	Only	Z
17379549	99121	COc1ccc(c(c1)Oc2ccccc2)NNC(=S)/N=N\c3ccc(cc3Oc4ccccc4)OC	Only	Z
17423884	109743	CCOC(=O)/C=C(\C(=O)OCC)/Nc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccccc4	Only	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	537872 537872	Select Similar	Z
2	538110 538110	Select Similar	Z
3	621841 621841	Select Similar	Z
4	622312 622312	Select Similar	Z
5	643046 643046	Select Similar	Z
6	696123 696123	Select Similar	Z
7	1555636 1555636	Select Similar	Z
8	1559575 1559575	Select Similar	Z
9	1559948 1559948	Select Similar	Z
10	1561350 1561350	Select Similar	Z
11	1563776 1563776	Select Similar	Z
12	1565667 1565667	Select Similar	Z
13	1568770 1568770	Select Similar	Z
14	1571881 1571881	Select Similar	Z
15	1572695 1572695	Select Similar	Z
16	1577800 1577800	Select Similar	Z
17	1578291 1578291	Select Similar	Z
18	1581128 1581128	Select Similar	Z
19	1582305 1582305	Select Similar	Z
20	1582410 1582410	Select Similar	Z
21	1582527 1582527	Select Similar	Z
22	1585940 1585940	Select Similar	Z
23	1585979 1585979	Select Similar	Z
24	1586938 1586938	Select Similar	Z
25	1588430 1588430	Select Similar	Z
26	1591128 1591128	Select Similar	Z
27	1592459 1592459	Select Similar	Z
28	1596927 1596927	Select Similar	Z
29	1609166 1609166	Select Similar	Z
30	1611876 1611876	Select Similar	Z
31	1612516 1612516	Select Similar	Z
32	1618102 1618102	Select Similar	Z
33	1618104 1618104	Select Similar	Z
34	1624505 1624505	Select Similar	Z
35	1624574 1624574	Select Similar	Z
36	1628542 1628542	Select Similar	Z
37	1629221 1629221	Select Similar	Z
38	1629229 1629229	Select Similar	Z
39	1633549 1633549	Select Similar	Z
40	1637480 1637480	Select Similar	Z
41	1641821 1641821	Select Similar	Z
42	1643257 1643257	Select Similar	Z
43	1643424 1643424	Select Similar	Z
44	1644220 1644220	Select Similar	Z
45	1644233 1644233	Select Similar	Z
46	1645444 1645444	Select Similar	Z
47	1655706 1655706	Select Similar	Z
48	1666226 1666226	Select Similar	Z
49	1668429 1668429	Select Similar	Z
50	1669626 1669626	Select Similar	Z
51	1680978 1680978	Select Similar	Z
52	1681315 1681315	Select Similar	Z
53	1681991 1681991	Select Similar	Z
54	1682416 1682416	Select Similar	Z
55	1682953 1682953	Select Similar	Z
56	1684441 1684441	Select Similar	Z
57	1685590 1685590	Select Similar	Z
58	1687300 1687300	Select Similar	Z
59	1691645 1691645	Select Similar	Z
60	1691656 1691656	Select Similar	Z
61	1692399 1692399	Select Similar	Z
62	1694624 1694624	Select Similar	Z
63	1694629 1694629	Select Similar	Z
64	1696460 1696460	Select Similar	Z
65	1698490 1698490	Select Similar	Z
66	1698491 1698491	Select Similar	Z
67	1698596 1698596	Select Similar	Z
68	1698597 1698597	Select Similar	Z
69	1698733 1698733	Select Similar	Z
70	1698989 1698989	Select Similar	Z
71	1699287 1699287	Select Similar	Z
72	1701216 1701216	Select Similar	Z
73	1702740 1702740	Select Similar	Z
74	1703258 1703258	Select Similar	Z
75	1703580 1703580	Select Similar	Z
76	1704090 1704090	Select Similar	Z
77	1706116 1706116	Select Similar	Z
78	1710111 1710111	Select Similar	Z
79	1712142 1712142	Select Similar	Z
80	1713828 1713828	Select Similar	Z
81	1717094 1717094	Select Similar	Z
82	1717101 1717101	Select Similar	Z
83	1717946 1717946	Select Similar	Z
84	1718924 1718924	Select Similar	Z
85	1720516 1720516	Select Similar	Z
86	1735569 1735569	Select Similar	Z
87	1735581 1735581	Select Similar	Z
88	1736047 1736047	Select Similar	Z
89	1736048 1736048	Select Similar	Z
90	1736049 1736049	Select Similar	Z
91	1750353 1750353	Select Similar	Z
92	1752317 1752317	Select Similar	Z
93	1760479 1760479	Select Similar	Z
94	1760512 1760512	Select Similar	Z
95	1761808 1761808	Select Similar	Z
96	1761835 1761835	Select Similar	Z
97	1768939 1768939	Select Similar	Z
98	1859045 1859045	Select Similar	Z
99	1866156 1866156	Select Similar	Z
100	2024448 2024448	Select Similar	Z
101	3812892 3812892	Select Similar	Z
102	3831511 3831511	Select Similar	Z
103	3847365 3847365	Select Similar	Z
104	3849676 3849676	Select Similar	Z
105	3873398 3873398	Select Similar	Z
106	3956808 3956808	Select Similar	Z
107	4213094 4213094	Select Similar	Z
108	4216702 4216702	Select Similar	Z
109	4283100 4283100	Select Similar	Z
110	4366367 4366367	Select Similar	Z
111	4403423 4403423	Select Similar	Z
112	4403867 4403867	Select Similar	Z
113	4403874 4403874	Select Similar	Z
114	4409129 4409129	Select Similar	Z
115	4416725 4416725	Select Similar	Z
116	4416947 4416947	Select Similar	Z
117	4428693 4428693	Select Similar	Z
118	4429810 4429810	Select Similar	Z
119	4430162 4430162	Select Similar	Z
120	4522502 4522502	Select Similar	Z
121	4523065 4523065	Select Similar	Z
122	4527684 4527684	Select Similar	Z
123	4527901 4527901	Select Similar	Z
124	4533502 4533502	Select Similar	Z
125	4557011 4557011	Select Similar	Z
126	4557012 4557012	Select Similar	Z
127	4683195 4683195	Select Similar	Z
128	4683491 4683491	Select Similar	Z
129	4683887 4683887	Select Similar	Z
130	4683904 4683904	Select Similar	Z
131	4684243 4684243	Select Similar	Z
132	4684247 4684247	Select Similar	Z
133	4706021 4706021	Select Similar	Z
134	4706026 4706026	Select Similar	Z
135	4707429 4707429	Select Similar	Z
136	4720990 4720990	Select Similar	Z
137	4720991 4720991	Select Similar	Z
138	4721211 4721211	Select Similar	Z
139	4721635 4721635	Select Similar	Z
140	4723009 4723009	Select Similar	Z
141	4723015 4723015	Select Similar	Z
142	4748294 4748294	Select Similar	Z
143	4769018 4769018	Select Similar	Z
144	4769216 4769216	Select Similar	Z
145	4771158 4771158	Select Similar	Z
146	4771165 4771165	Select Similar	Z
147	4783215 4783215	Select Similar	Z
148	4783386 4783386	Select Similar	Z
149	4795964 4795964	Select Similar	Z
150	4803268 4803268	Select Similar	Z
151	4804566 4804566	Select Similar	Z
152	4806113 4806113	Select Similar	Z
153	4821504 4821504	Select Similar	Z
154	4823121 4823121	Select Similar	Z
155	4823461 4823461	Select Similar	Z
156	4823466 4823466	Select Similar	Z
157	4823470 4823470	Select Similar	Z
158	4823555 4823555	Select Similar	Z
159	4823558 4823558	Select Similar	Z
160	4824780 4824780	Select Similar	Z
161	4830950 4830950	Select Similar	Z
162	4830978 4830978	Select Similar	Z
163	4877580 4877580	Select Similar	Z
164	4878300 4878300	Select Similar	Z
165	4896451 4896451	Select Similar	Z
166	4900534 4900534	Select Similar	Z
167	4900554 4900554	Select Similar	Z
168	4946120 4946120	Select Similar	Z
169	4962733 4962733	Select Similar	Z
170	4963581 4963581	Select Similar	Z
171	4963710 4963710	Select Similar	Z
172	4974262 4974262	Select Similar	Z
173	4974284 4974284	Select Similar	Z
174	4974461 4974461	Select Similar	Z
175	4975068 4975068	Select Similar	Z
176	4975108 4975108	Select Similar	Z
177	4990917 4990917	Select Similar	Z
178	4990919 4990919	Select Similar	Z
179	4991067 4991067	Select Similar	Z
180	4991621 4991621	Select Similar	Z
181	4991630 4991630	Select Similar	Z
182	5004756 5004756	Select Similar	Z
183	5004776 5004776	Select Similar	Z
184	5023244 5023244	Select Similar	Z
185	5023247 5023247	Select Similar	Z
186	5023249 5023249	Select Similar	Z
187	5023253 5023253	Select Similar	Z
188	5023255 5023255	Select Similar	Z
189	5023347 5023347	Select Similar	Z
190	5023351 5023351	Select Similar	Z
191	5023363 5023363	Select Similar	Z
192	5023366 5023366	Select Similar	Z
193	5023367 5023367	Select Similar	Z
194	5023370 5023370	Select Similar	Z
195	5023537 5023537	Select Similar	Z
196	5023540 5023540	Select Similar	Z
197	5023542 5023542	Select Similar	Z
198	5024073 5024073	Select Similar	Z
199	5028663 5028663	Select Similar	Z
200	5030917 5030917	Select Similar	Z
201	5030926 5030926	Select Similar	Z
202	5030931 5030931	Select Similar	Z
203	5030936 5030936	Select Similar	Z
204	5045562 5045562	Select Similar	Z
205	5062892 5062892	Select Similar	Z
206	5062893 5062893	Select Similar	Z
207	5062894 5062894	Select Similar	Z
208	5062896 5062896	Select Similar	Z
209	5062914 5062914	Select Similar	Z
210	5065021 5065021	Select Similar	Z
211	5065164 5065164	Select Similar	Z
212	5082318 5082318	Select Similar	Z
213	5082422 5082422	Select Similar	Z
214	5082425 5082425	Select Similar	Z
215	5084781 5084781	Select Similar	Z
216	5085915 5085915	Select Similar	Z
217	5085927 5085927	Select Similar	Z
218	5104250 5104250	Select Similar	Z
219	5105609 5105609	Select Similar	Z
220	5105618 5105618	Select Similar	Z
221	5119254 5119254	Select Similar	Z
222	5119255 5119255	Select Similar	Z
223	5121316 5121316	Select Similar	Z
224	5121317 5121317	Select Similar	Z
225	5124813 5124813	Select Similar	Z
226	5179496 5179496	Select Similar	Z
227	5179499 5179499	Select Similar	Z
228	5181155 5181155	Select Similar	Z
229	5188485 5188485	Select Similar	Z
230	5315117 5315117	Select Similar	Z
231	5315604 5315604	Select Similar	Z
232	5316637 5316637	Select Similar	Z
233	5328305 5328305	Select Similar	Z
234	5328872 5328872	Select Similar	Z
235	5328874 5328874	Select Similar	Z
236	5328886 5328886	Select Similar	Z
237	5329260 5329260	Select Similar	Z
238	5329393 5329393	Select Similar	Z
239	5330041 5330041	Select Similar	Z
240	5330048 5330048	Select Similar	Z
241	5330109 5330109	Select Similar	Z
242	5339551 5339551	Select Similar	Z
243	5339553 5339553	Select Similar	Z
244	5368506 5368506	Select Similar	Z
245	5370857 5370857	Select Similar	Z
246	5385613 5385613	Select Similar	Z
247	5390503 5390503	Select Similar	Z
248	5390506 5390506	Select Similar	Z
249	5410063 5410063	Select Similar	Z
250	5424110 5424110	Select Similar	Z
251	5437432 5437432	Select Similar	Z
252	5459062 5459062	Select Similar	Z
253	5461487 5461487	Select Similar	Z
254	5461502 5461502	Select Similar	Z
255	5479304 5479304	Select Similar	Z
256	5479325 5479325	Select Similar	Z
257	5485908 5485908	Select Similar	Z
258	5486762 5486762	Select Similar	Z
259	5486807 5486807	Select Similar	Z
260	5487777 5487777	Select Similar	Z
261	5488075 5488075	Select Similar	Z
262	5496228 5496228	Select Similar	Z
263	5496977 5496977	Select Similar	Z
264	5499766 5499766	Select Similar	Z
265	5519541 5519541	Select Similar	Z
266	5519546 5519546	Select Similar	Z
267	5540217 5540217	Select Similar	Z
268	5545318 5545318	Select Similar	Z
269	5546260 5546260	Select Similar	Z
270	5553396 5553396	Select Similar	Z
271	5554119 5554119	Select Similar	Z
272	5554446 5554446	Select Similar	Z
273	5567231 5567231	Select Similar	Z
274	5607221 5607221	Select Similar	Z
275	5614943 5614943	Select Similar	Z
276	5616157 5616157	Select Similar	Z
277	5616167 5616167	Select Similar	Z
278	5616177 5616177	Select Similar	Z
279	5616183 5616183	Select Similar	Z
280	5618623 5618623	Select Similar	Z
281	5648803 5648803	Select Similar	Z
282	5648805 5648805	Select Similar	Z
283	5663269 5663269	Select Similar	Z
284	5664007 5664007	Select Similar	Z
285	5664077 5664077	Select Similar	Z
286	5664900 5664900	Select Similar	Z
287	5706585 5706585	Select Similar	Z
288	5706732 5706732	Select Similar	Z
289	5706733 5706733	Select Similar	Z
290	5706744 5706744	Select Similar	Z
291	5706749 5706749	Select Similar	Z
292	5706751 5706751	Select Similar	Z
293	5706809 5706809	Select Similar	Z
294	5706810 5706810	Select Similar	Z
295	5706844 5706844	Select Similar	Z
296	5706845 5706845	Select Similar	Z
297	5706846 5706846	Select Similar	Z
298	5706847 5706847	Select Similar	Z
299	5707037 5707037	Select Similar	Z
300	5707038 5707038	Select Similar	Z
301	5707039 5707039	Select Similar	Z
302	5707040 5707040	Select Similar	Z
303	5707362 5707362	Select Similar	Z
304	5707441 5707441	Select Similar	Z
305	5721993 5721993	Select Similar	Z
306	5721996 5721996	Select Similar	Z
307	5722118 5722118	Select Similar	Z
308	5722607 5722607	Select Similar	Z
309	5722659 5722659	Select Similar	Z
310	5722729 5722729	Select Similar	Z
311	5722735 5722735	Select Similar	Z
312	5723191 5723191	Select Similar	Z
313	5723208 5723208	Select Similar	Z
314	5723293 5723293	Select Similar	Z
315	5723300 5723300	Select Similar	Z
316	5724358 5724358	Select Similar	Z
317	5724384 5724384	Select Similar	Z
318	5733616 5733616	Select Similar	Z
319	5733623 5733623	Select Similar	Z
320	5741635 5741635	Select Similar	Z
321	5741841 5741841	Select Similar	Z
322	5741877 5741877	Select Similar	Z
323	5742341 5742341	Select Similar	Z
324	5742693 5742693	Select Similar	Z
325	5743137 5743137	Select Similar	Z
326	5759417 5759417	Select Similar	Z
327	5759936 5759936	Select Similar	Z
328	5767446 5767446	Select Similar	Z
329	5809477 5809477	Select Similar	Z
330	5811728 5811728	Select Similar	Z
331	5813537 5813537	Select Similar	Z
332	5845420 5845420	Select Similar	Z
333	5887927 5887927	Select Similar	Z
334	5888466 5888466	Select Similar	Z
335	5940720 5940720	Select Similar	Z
336	5954558 5954558	Select Similar	Z
337	5954907 5954907	Select Similar	Z
338	5956976 5956976	Select Similar	Z
339	5956988 5956988	Select Similar	Z
340	5957064 5957064	Select Similar	Z
341	6002604 6002604	Select Similar	Z
342	6002638 6002638	Select Similar	Z
343	6003679 6003679	Select Similar	Z
344	6005358 6005358	Select Similar	Z
345	6007047 6007047	Select Similar	Z
346	8602904 8602904	Select Similar	Z
347	8602982 8602982	Select Similar	Z
348	8614222 8614222	Select Similar	Z
349	8614367 8614367	Select Similar	Z
350	8616456 8616456	Select Similar	Z
351	8619247 8619247	Select Similar	Z
352	8637308 8637308	Select Similar	Z
353	8649288 8649288	Select Similar	Z
354	8649297 8649297	Select Similar	Z
355	8651833 8651833	Select Similar	Z
356	8652420 8652420	Select Similar	Z
357	8652985 8652985	Select Similar	Z
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