smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC3CCOCC3)[C@H]21	ZINC000217843723	569881863	/nfs/dbraw/zinc/88/18/63/569881863.db2.gz	DLZZZRMJORCWRH-QHCPKHFHSA-N	0	0	465.506	2.361	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3cccn3C)[C@@H]21	ZINC000218031362	569882436	/nfs/dbraw/zinc/88/24/36/569882436.db2.gz	QGSCBHQLIDZWPJ-HSZRJFAPSA-N	0	0	460.490	2.474	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2n[nH]c(Cn3cncn3)n2)cc1	ZINC000218301449	569883246	/nfs/dbraw/zinc/88/32/46/569883246.db2.gz	OOEVIWVCBHLFLH-QGZVFWFLSA-N	0	0	475.465	2.369	50	70		JEIARN
CSCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21	ZINC000218331190	569883254	/nfs/dbraw/zinc/88/32/54/569883254.db2.gz	WEKJRVIFLCSCDZ-HOTGVXAUSA-N	0	0	456.528	2.134	50	70		JEIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccccc4OC)CC3)C2=O)cc1	ZINC000218489232	569883426	/nfs/dbraw/zinc/88/34/26/569883426.db2.gz	FLFPMCXKIXENER-IBGZPJMESA-N	0	0	452.511	2.258	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCn3ccnc3)[C@H]21	ZINC000217671330	569880981	/nfs/dbraw/zinc/88/09/81/569880981.db2.gz	QHMLPIXSCDKVRP-QHCPKHFHSA-N	0	0	475.505	2.222	50	70	biogenic	JEIARN
COCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217779354	569881534	/nfs/dbraw/zinc/88/15/34/569881534.db2.gz	DGYPXYYSZMJLBF-JOCHJYFZSA-N	0	0	453.495	2.361	50	70	biogenic	JEIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000217861813	569881960	/nfs/dbraw/zinc/88/19/60/569881960.db2.gz	ACQVMOWDEFAVSV-FQEVSTJZSA-N	0	0	459.506	2.030	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH]cn3)[C@@H]21	ZINC000217673334	569880963	/nfs/dbraw/zinc/88/09/63/569880963.db2.gz	JIZXTPSMGPORLD-HSZRJFAPSA-N	0	0	475.505	2.291	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC3CCOCC3)[C@@H]21	ZINC000217843813	569881817	/nfs/dbraw/zinc/88/18/17/569881817.db2.gz	DLZZZRMJORCWRH-HSZRJFAPSA-N	0	0	465.506	2.361	50	70	biogenic	JEIARN
CSCC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000218229339	569883077	/nfs/dbraw/zinc/88/30/77/569883077.db2.gz	PXKDTDKQJSZKRH-JKSUJKDBSA-N	0	0	458.005	2.407	50	70		JEIARN
CSCC[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000218229395	569883109	/nfs/dbraw/zinc/88/31/09/569883109.db2.gz	PXKDTDKQJSZKRH-HOTGVXAUSA-N	0	0	458.005	2.407	50	70		JEIARN
COc1cc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc(OC)c1OC	ZINC000218599087	569883472	/nfs/dbraw/zinc/88/34/72/569883472.db2.gz	QXCOFZQENAXMHJ-INIZCTEOSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1OC	ZINC000217828627	569881774	/nfs/dbraw/zinc/88/17/74/569881774.db2.gz	ACELBKGNJDZVHY-IBGZPJMESA-N	0	0	455.511	2.011	50	70	biogenic	JEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@@H](CCSC)c3nnc4ccccn43)C2=O)cc1	ZINC000218147161	569882929	/nfs/dbraw/zinc/88/29/29/569882929.db2.gz	BXHRLKZONJYVSU-ROUUACIJSA-N	0	0	482.566	2.159	50	70		JEIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](CCSC)c3nnc4ccccn43)C2=O)cc1	ZINC000218325928	569883207	/nfs/dbraw/zinc/88/32/07/569883207.db2.gz	VRSCJHHRDUBAJH-OALUTQOASA-N	0	0	496.593	2.202	50	70		JEIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(COc2ccccc2Cl)no1	ZINC000217715947	569881182	/nfs/dbraw/zinc/88/11/82/569881182.db2.gz	QXOBVRVJFKPIJU-INIZCTEOSA-N	0	0	469.885	2.449	50	70	biogenic	JEIARN
COc1cc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc(OC)c1OC	ZINC000218599161	569883481	/nfs/dbraw/zinc/88/34/81/569883481.db2.gz	QXCOFZQENAXMHJ-MRXNPFEDSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1OC	ZINC000217610073	569880528	/nfs/dbraw/zinc/88/05/28/569880528.db2.gz	FJOHLKGSWGSLLH-IBGZPJMESA-N	0	0	497.548	2.159	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3CCOCC3)[C@@H]21	ZINC000217868134	569881937	/nfs/dbraw/zinc/88/19/37/569881937.db2.gz	HOKXIFMAVDOZQS-HSZRJFAPSA-N	0	0	465.506	2.458	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N3CCOCC3)[C@H]21	ZINC000217868037	569881945	/nfs/dbraw/zinc/88/19/45/569881945.db2.gz	HOKXIFMAVDOZQS-QHCPKHFHSA-N	0	0	465.506	2.458	50	70	biogenic	JEIARN
COC(=O)[C@H](CCSC)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O	ZINC000218157583	569882925	/nfs/dbraw/zinc/88/29/25/569882925.db2.gz	DSNDHKPZGBMEST-HNNXBMFYSA-N	0	0	454.346	2.084	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3CCOCC3)[C@H]21	ZINC000217866215	569881875	/nfs/dbraw/zinc/88/18/75/569881875.db2.gz	XQGLCSQBUIXVMD-QFIPXVFZSA-N	0	0	451.479	2.068	50	70	biogenic	JEIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1	ZINC000218208208	569883010	/nfs/dbraw/zinc/88/30/10/569883010.db2.gz	AUGPFJYXCUPFOY-HNNXBMFYSA-N	0	0	463.475	2.220	50	70		JEIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(CCOc2ccccc2Cl)CC1	ZINC000217905143	569882055	/nfs/dbraw/zinc/88/20/55/569882055.db2.gz	LCXSDXQQTSCSIY-FQEVSTJZSA-N	0	0	470.957	2.394	50	70	biogenic	JEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1OC	ZINC000218304448	569883237	/nfs/dbraw/zinc/88/32/37/569883237.db2.gz	JBAREWRAIJXBAO-RXVVDRJESA-N	0	0	453.495	2.114	50	70		JEIARN
COc1cc(OC)c([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1OC	ZINC000218552141	569883417	/nfs/dbraw/zinc/88/34/17/569883417.db2.gz	SPNBRAOQXPUYIS-INIZCTEOSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3nc(C)no3)[C@H]21	ZINC000217598092	569880393	/nfs/dbraw/zinc/88/03/93/569880393.db2.gz	HOEOGTZEWAUDAK-QHCPKHFHSA-N	0	0	491.504	2.259	50	70	biogenic	JEIARN
COc1ccc(CCc2nc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1OC	ZINC000217863616	569881907	/nfs/dbraw/zinc/88/19/07/569881907.db2.gz	AKDCGQGLPMOAQR-KRWDZBQOSA-N	0	0	478.509	2.077	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3cccn3C)[C@H]21	ZINC000218031294	569882478	/nfs/dbraw/zinc/88/24/78/569882478.db2.gz	QGSCBHQLIDZWPJ-QHCPKHFHSA-N	0	0	460.490	2.474	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCn3cccc3)[C@@H]21	ZINC000218060512	569882641	/nfs/dbraw/zinc/88/26/41/569882641.db2.gz	IFBFAAZGFTXLDS-HSZRJFAPSA-N	0	0	460.490	2.437	50	70	biogenic	JEIARN
O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1CN1CCn2c(nnc2C(F)(F)F)C1	ZINC000218246438	569883160	/nfs/dbraw/zinc/88/31/60/569883160.db2.gz	XSWMFZYYAJFVHU-UHFFFAOYSA-N	0	0	490.486	2.294	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCn3ccnc3)[C@@H]21	ZINC000217671403	569880995	/nfs/dbraw/zinc/88/09/95/569880995.db2.gz	QHMLPIXSCDKVRP-HSZRJFAPSA-N	0	0	475.505	2.222	50	70	biogenic	JEIARN
COCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217785423	569881535	/nfs/dbraw/zinc/88/15/35/569881535.db2.gz	FUWAGTHBIPHQSL-JOCHJYFZSA-N	0	0	453.495	2.361	50	70	biogenic	JEIARN
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)c(OC)c1OC	ZINC000218608827	569883505	/nfs/dbraw/zinc/88/35/05/569883505.db2.gz	HPECRPPPAMTTJB-INIZCTEOSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)nc3cc(OC)c(OC)cc3c1=O)CC2	ZINC000217637416	569880843	/nfs/dbraw/zinc/88/08/43/569880843.db2.gz	ZEBPOMWGYXTIPV-UHFFFAOYSA-N	0	0	453.495	2.324	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCn3cccc3)[C@H]21	ZINC000218060438	569882622	/nfs/dbraw/zinc/88/26/22/569882622.db2.gz	IFBFAAZGFTXLDS-QHCPKHFHSA-N	0	0	460.490	2.437	50	70	biogenic	JEIARN
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1nnc2ccccn21	ZINC000218268212	569883141	/nfs/dbraw/zinc/88/31/41/569883141.db2.gz	IESGBPWHJRGNBW-KXBFYZLASA-N	0	0	459.510	2.331	50	70		JEIARN
CSCC[C@H](NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn21	ZINC000218380346	569883283	/nfs/dbraw/zinc/88/32/83/569883283.db2.gz	UXUFLRJVIRFWLY-ROUUACIJSA-N	0	0	466.567	2.193	50	70		JEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)C2=O)cc1	ZINC000218348995	569883299	/nfs/dbraw/zinc/88/32/99/569883299.db2.gz	BDQHQOCXODKOJJ-OALUTQOASA-N	0	0	464.526	2.452	50	70		JEIARN
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)c(OC)c1OC	ZINC000218608898	569883469	/nfs/dbraw/zinc/88/34/69/569883469.db2.gz	HPECRPPPAMTTJB-MRXNPFEDSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3nc(C)no3)[C@@H]21	ZINC000217598167	569880433	/nfs/dbraw/zinc/88/04/33/569880433.db2.gz	HOEOGTZEWAUDAK-HSZRJFAPSA-N	0	0	491.504	2.259	50	70	biogenic	JEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1OC	ZINC000218304501	569883204	/nfs/dbraw/zinc/88/32/04/569883204.db2.gz	JBAREWRAIJXBAO-GHTZIAJQSA-N	0	0	453.495	2.114	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC[C@@H]3CCCO3)[C@H]21	ZINC000217666228	569880944	/nfs/dbraw/zinc/88/09/44/569880944.db2.gz	ZXMQUSYWPJYXBQ-FPTDNZKUSA-N	0	0	451.479	2.114	50	70	biogenic	JEIARN
COCCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	ZINC000218081211	569882668	/nfs/dbraw/zinc/88/26/68/569882668.db2.gz	RRGDXUNAPADPMG-IBGZPJMESA-N	0	0	499.564	2.038	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3cncn3)n2)c1	ZINC000218134746	569882885	/nfs/dbraw/zinc/88/28/85/569882885.db2.gz	WUINQCZPNADCAW-KRWDZBQOSA-N	0	0	475.465	2.369	50	70		JEIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCCc2ccc(OC)cc2)cc1	ZINC000218147264	569882957	/nfs/dbraw/zinc/88/29/57/569882957.db2.gz	WSOWDXGKMCTWPY-HXUWFJFHSA-N	0	0	467.522	2.446	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC[C@H]3CCCO3)[C@H]21	ZINC000217666395	569880937	/nfs/dbraw/zinc/88/09/37/569880937.db2.gz	ZXMQUSYWPJYXBQ-PEBXRYMYSA-N	0	0	451.479	2.114	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC[C@@H]3CCCO3)[C@@H]21	ZINC000217666308	569880939	/nfs/dbraw/zinc/88/09/39/569880939.db2.gz	ZXMQUSYWPJYXBQ-RCDICMHDSA-N	0	0	451.479	2.114	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC[C@H]3CCCO3)[C@@H]21	ZINC000217666481	569880970	/nfs/dbraw/zinc/88/09/70/569880970.db2.gz	ZXMQUSYWPJYXBQ-JLCFBVMHSA-N	0	0	451.479	2.114	50	70	biogenic	JEIARN
COCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21	ZINC000217785507	569881486	/nfs/dbraw/zinc/88/14/86/569881486.db2.gz	FUWAGTHBIPHQSL-QFIPXVFZSA-N	0	0	453.495	2.361	50	70	biogenic	JEIARN
COCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21	ZINC000217779441	569881529	/nfs/dbraw/zinc/88/15/29/569881529.db2.gz	DGYPXYYSZMJLBF-QFIPXVFZSA-N	0	0	453.495	2.361	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3cncn3)n2)c1	ZINC000218134663	569882904	/nfs/dbraw/zinc/88/29/04/569882904.db2.gz	WUINQCZPNADCAW-QGZVFWFLSA-N	0	0	475.465	2.369	50	70		JEIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)C2=O)cc1	ZINC000218237378	569883084	/nfs/dbraw/zinc/88/30/84/569883084.db2.gz	XUUDDFULGXUQJP-PMACEKPBSA-N	0	0	478.553	2.495	50	70		JEIARN
COc1cc(OC)c([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1OC	ZINC000218552214	569883415	/nfs/dbraw/zinc/88/34/15/569883415.db2.gz	SPNBRAOQXPUYIS-MRXNPFEDSA-N	0	0	453.495	2.262	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3c[nH]cn3)[C@H]21	ZINC000217673248	569880988	/nfs/dbraw/zinc/88/09/88/569880988.db2.gz	JIZXTPSMGPORLD-QHCPKHFHSA-N	0	0	475.505	2.291	50	70	biogenic	JEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3CCOCC3)[C@@H]21	ZINC000217866283	569881946	/nfs/dbraw/zinc/88/19/46/569881946.db2.gz	XQGLCSQBUIXVMD-JOCHJYFZSA-N	0	0	451.479	2.068	50	70	biogenic	JEIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCCc2ccc(OC)cc2)cc1	ZINC000218147350	569882974	/nfs/dbraw/zinc/88/29/74/569882974.db2.gz	WSOWDXGKMCTWPY-FQEVSTJZSA-N	0	0	467.522	2.446	50	70		JEIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2n[nH]c(Cn3cncn3)n2)cc1	ZINC000218301493	569883239	/nfs/dbraw/zinc/88/32/39/569883239.db2.gz	OOEVIWVCBHLFLH-KRWDZBQOSA-N	0	0	475.465	2.369	50	70		JEIARN