smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000216802932	569879450	/nfs/dbraw/zinc/87/94/50/569879450.db2.gz	ZGWGGPGIDOLBHH-UHFFFAOYSA-N	0	0	464.975	1.987	40	70		JDIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000216806767	569879466	/nfs/dbraw/zinc/87/94/66/569879466.db2.gz	PKOUTYHODVJZCC-UHFFFAOYSA-N	0	0	480.612	1.023	40	70		JDIBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216807363	569879504	/nfs/dbraw/zinc/87/95/04/569879504.db2.gz	ANVZHTQPKZBUED-UHFFFAOYSA-N	0	0	490.582	1.351	40	70		JDIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000216808302	569879540	/nfs/dbraw/zinc/87/95/40/569879540.db2.gz	QBBKITJCBFYLDN-UHFFFAOYSA-N	0	0	494.639	1.066	40	70		JDIBRN
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	ZINC000216829817	569879581	/nfs/dbraw/zinc/87/95/81/569879581.db2.gz	YWMZMSNQPOKPCV-UHFFFAOYSA-N	0	0	486.594	1.876	40	70		JDIBRN
CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216834723	569879682	/nfs/dbraw/zinc/87/96/82/569879682.db2.gz	NRHMSFSSKXVTGE-UHFFFAOYSA-N	0	0	460.556	1.342	40	70		JDIBRN
CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216840408	569879736	/nfs/dbraw/zinc/87/97/36/569879736.db2.gz	YUODLALTXYIGBD-UHFFFAOYSA-N	0	0	458.584	1.896	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217894992	569882067	/nfs/dbraw/zinc/88/20/67/569882067.db2.gz	TZUFJNBPRXSFBS-JZXOWHBKSA-N	0	0	454.914	1.958	40	70		JDIBRN
COc1cc2nc(C)n(CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c(=O)c2cc1OC	ZINC000217934638	569882110	/nfs/dbraw/zinc/88/21/10/569882110.db2.gz	OKJHSCJQQHCLBN-JKSUJKDBSA-N	0	0	450.495	1.530	40	70		JDIBRN
CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(S(=O)(=O)NC)c2)cc1	ZINC000216791628	569879307	/nfs/dbraw/zinc/87/93/07/569879307.db2.gz	IUQIGQXJYLWFIQ-UHFFFAOYSA-N	0	0	460.556	1.776	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1N1CCN(C)CC1	ZINC000216792987	569879353	/nfs/dbraw/zinc/87/93/53/569879353.db2.gz	PYXJTQZVGHUPFK-UHFFFAOYSA-N	0	0	490.626	1.726	40	70		JDIBRN
CN1CCN(C(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)cc2)CC1	ZINC000216808236	569879484	/nfs/dbraw/zinc/87/94/84/569879484.db2.gz	CSMBKNASZRHDSC-UHFFFAOYSA-N	0	0	458.584	1.517	40	70		JDIBRN
CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1	ZINC000216812194	569879498	/nfs/dbraw/zinc/87/94/98/569879498.db2.gz	XPRLZAQNHVHNCQ-UHFFFAOYSA-N	0	0	480.612	1.272	40	70		JDIBRN
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216809506	569879544	/nfs/dbraw/zinc/87/95/44/569879544.db2.gz	YHXVPXREWCPBKW-UHFFFAOYSA-N	0	0	474.583	1.732	40	70		JDIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216814450	569879550	/nfs/dbraw/zinc/87/95/50/569879550.db2.gz	BJARQTWAPQTACA-UHFFFAOYSA-N	0	0	498.602	1.162	40	70		JDIBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216816895	569879598	/nfs/dbraw/zinc/87/95/98/569879598.db2.gz	LATOMQCEWRAKPM-MRXNPFEDSA-N	0	0	490.582	1.397	40	70		JDIBRN
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216834170	569879714	/nfs/dbraw/zinc/87/97/14/569879714.db2.gz	CYKIGZOGFISAQR-UHFFFAOYSA-N	0	0	490.582	1.016	40	70		JDIBRN
COc1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(N(C)S(C)(=O)=O)cc1OC	ZINC000216843699	569879732	/nfs/dbraw/zinc/87/97/32/569879732.db2.gz	QHXHHAMANBDUSO-UHFFFAOYSA-N	0	0	490.582	1.740	40	70		JDIBRN
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000216842662	569879783	/nfs/dbraw/zinc/87/97/83/569879783.db2.gz	DRRXOTZVVUAVJA-UHFFFAOYSA-N	0	0	496.611	1.781	40	70		JDIBRN
COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216843876	569879791	/nfs/dbraw/zinc/87/97/91/569879791.db2.gz	RXCGXGXQAWWSIT-UHFFFAOYSA-N	0	0	496.611	1.279	40	70		JDIBRN
COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1	ZINC000217399366	569879964	/nfs/dbraw/zinc/87/99/64/569879964.db2.gz	IGAUSSOLVQWTTA-HKJSJKENSA-N	0	0	494.548	1.222	40	70		JDIBRN
CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H]4[C@@H](C)C(=O)C[C@@H]2c2ccco2)CC1	ZINC000217511793	569880136	/nfs/dbraw/zinc/88/01/36/569880136.db2.gz	XOYYBFLPFJVFEL-RHOQADJGSA-N	0	0	483.521	1.381	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217784931	569881485	/nfs/dbraw/zinc/88/14/85/569881485.db2.gz	LFIBIVLDUYTWNC-JZXOWHBKSA-N	0	0	454.914	1.958	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccc1N1CCN(C)CC1	ZINC000216792931	569879264	/nfs/dbraw/zinc/87/92/64/569879264.db2.gz	UZFMUDULUXMOGF-UHFFFAOYSA-N	0	0	460.600	1.718	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1N1CCN(C)CC1	ZINC000216794708	569879415	/nfs/dbraw/zinc/87/94/15/569879415.db2.gz	AGADXTDRNZUZJO-UHFFFAOYSA-N	0	0	460.556	1.776	40	70		JDIBRN
CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000216812891	569879488	/nfs/dbraw/zinc/87/94/88/569879488.db2.gz	XNAXOZAEWJPNQT-UHFFFAOYSA-N	0	0	498.602	1.411	40	70		JDIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)cc2)CC1	ZINC000216808487	569879522	/nfs/dbraw/zinc/87/95/22/569879522.db2.gz	WXHNCYYJZNIPQB-UHFFFAOYSA-N	0	0	472.633	1.156	40	70		JDIBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000216817124	569879567	/nfs/dbraw/zinc/87/95/67/569879567.db2.gz	CVUATYMGIYUEOT-KRWDZBQOSA-N	0	0	474.583	1.697	40	70		JDIBRN
CN(Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)o1)S(C)(=O)=O	ZINC000216843614	569879734	/nfs/dbraw/zinc/87/97/34/569879734.db2.gz	GLEONYQVEMBZKT-DHZHZOJOSA-N	0	0	496.611	1.259	40	70		JDIBRN
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)cc2)CC1	ZINC000216844132	569879801	/nfs/dbraw/zinc/87/98/01/569879801.db2.gz	GHTHDOKNDDENGX-UHFFFAOYSA-N	0	0	487.607	1.823	40	70		JDIBRN
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C1=O	ZINC000217581794	569880332	/nfs/dbraw/zinc/88/03/32/569880332.db2.gz	MQBCKUJCGFZIMN-JQHSSLGASA-N	0	0	450.495	1.313	40	70		JDIBRN
O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217583923	569880336	/nfs/dbraw/zinc/88/03/36/569880336.db2.gz	MBQKJEGLPSHGDY-SCTDSRPQSA-N	0	0	452.486	1.834	40	70		JDIBRN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000217588374	569880460	/nfs/dbraw/zinc/88/04/60/569880460.db2.gz	APRDTNAUTAHNST-SCTDSRPQSA-N	0	0	450.495	1.313	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217832846	569881785	/nfs/dbraw/zinc/88/17/85/569881785.db2.gz	FOWKUCDQISJFNA-SCTDSRPQSA-N	0	0	452.486	1.486	40	70		JDIBRN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000218016977	569882430	/nfs/dbraw/zinc/88/24/30/569882430.db2.gz	LZYNRBPGBHETQN-FCEWJHQRSA-N	0	0	450.495	1.708	40	70		JDIBRN
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216815914	569879468	/nfs/dbraw/zinc/87/94/68/569879468.db2.gz	UPGDTJUONOXHES-UHFFFAOYSA-N	0	0	478.546	1.481	40	70		JDIBRN
CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000216810636	569879476	/nfs/dbraw/zinc/87/94/76/569879476.db2.gz	AGBBMINWQYRKGL-UHFFFAOYSA-N	0	0	494.639	1.580	40	70		JDIBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000216809691	569879496	/nfs/dbraw/zinc/87/94/96/569879496.db2.gz	NPAZTXOAKSFPCN-UHFFFAOYSA-N	0	0	474.583	1.650	40	70		JDIBRN
CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000216812835	569879524	/nfs/dbraw/zinc/87/95/24/569879524.db2.gz	KAPRNXWPTRMMRE-UHFFFAOYSA-N	0	0	462.547	1.863	40	70		JDIBRN
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216817910	569879594	/nfs/dbraw/zinc/87/95/94/569879594.db2.gz	PEFMDTGNUBDJCX-KRWDZBQOSA-N	0	0	474.583	1.778	40	70		JDIBRN
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216837191	569879665	/nfs/dbraw/zinc/87/96/65/569879665.db2.gz	RCPBNXMOWJUNEH-UHFFFAOYSA-N	0	0	474.583	1.650	40	70		JDIBRN
CN(Cc1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)o1)S(C)(=O)=O	ZINC000216843570	569879738	/nfs/dbraw/zinc/87/97/38/569879738.db2.gz	WPMOYJIVSBJVQM-ZHACJKMWSA-N	0	0	460.556	1.711	40	70		JDIBRN
CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216840458	569879765	/nfs/dbraw/zinc/87/97/65/569879765.db2.gz	VYDJTTQVBCIGLJ-UHFFFAOYSA-N	0	0	494.639	1.444	40	70		JDIBRN
COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216843831	569879789	/nfs/dbraw/zinc/87/97/89/569879789.db2.gz	XJPROCIERXKLIX-UHFFFAOYSA-N	0	0	460.556	1.731	40	70		JDIBRN
COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(C)C2=O)c(OC)c1	ZINC000217399285	569879992	/nfs/dbraw/zinc/87/99/92/569879992.db2.gz	IGAUSSOLVQWTTA-ZTBAGHRESA-N	0	0	494.548	1.222	40	70		JDIBRN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000217590417	569880431	/nfs/dbraw/zinc/88/04/31/569880431.db2.gz	ZKFZEZFLRUPBHV-ZVDOUQERSA-N	0	0	478.549	1.746	40	70		JDIBRN
O=C(CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217588221	569880443	/nfs/dbraw/zinc/88/04/43/569880443.db2.gz	ZAWGEMFWTODYBJ-NSHGMRRFSA-N	0	0	466.513	1.876	40	70		JDIBRN
COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000217802026	569881650	/nfs/dbraw/zinc/88/16/50/569881650.db2.gz	BJZQPCNUIPWTJI-MTXNFPGFSA-N	0	0	451.454	1.420	40	70		JDIBRN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802192	569881680	/nfs/dbraw/zinc/88/16/80/569881680.db2.gz	KHUAMRHIACJIPJ-MTXNFPGFSA-N	0	0	451.454	1.420	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1N1CCN(C)CC1	ZINC000216794645	569879365	/nfs/dbraw/zinc/87/93/65/569879365.db2.gz	LZJWHYXVFLDCNR-UHFFFAOYSA-N	0	0	460.556	1.776	40	70		JDIBRN
CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1cc(F)ccc1OC	ZINC000216816084	569879500	/nfs/dbraw/zinc/87/95/00/569879500.db2.gz	IJGRNFZXWRXZSI-UHFFFAOYSA-N	0	0	492.573	1.871	40	70		JDIBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC	ZINC000216816854	569879613	/nfs/dbraw/zinc/87/96/13/569879613.db2.gz	LATOMQCEWRAKPM-INIZCTEOSA-N	0	0	490.582	1.397	40	70		JDIBRN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000217590812	569880423	/nfs/dbraw/zinc/88/04/23/569880423.db2.gz	AQIXMYFTGDVUQL-NSHGMRRFSA-N	0	0	464.522	1.703	40	70		JDIBRN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1OC	ZINC000217591407	569880458	/nfs/dbraw/zinc/88/04/58/569880458.db2.gz	PNRMMWFLKWZPMF-OTWHNJEPSA-N	0	0	494.548	1.712	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217736129	569881269	/nfs/dbraw/zinc/88/12/69/569881269.db2.gz	NGZZXIGJUQLFCS-CDXJDZJCSA-N	0	0	473.533	1.829	40	70		JDIBRN
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000217802667	569881699	/nfs/dbraw/zinc/88/16/99/569881699.db2.gz	ROWZHUMUOLCXDE-QSNWEANLSA-N	0	0	457.870	1.527	40	70		JDIBRN
COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1OC	ZINC000216786625	569879270	/nfs/dbraw/zinc/87/92/70/569879270.db2.gz	ZEMSMBLSSJABHT-UHFFFAOYSA-N	0	0	477.583	1.621	40	70		JDIBRN
CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1N1CCN(C)CC1	ZINC000216789743	569879341	/nfs/dbraw/zinc/87/93/41/569879341.db2.gz	KPYPMTLDNUQAIL-UHFFFAOYSA-N	0	0	476.599	1.336	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1N1CCN(C)CC1	ZINC000216795286	569879351	/nfs/dbraw/zinc/87/93/51/569879351.db2.gz	MKKWRYJNZXYCRL-UHFFFAOYSA-N	0	0	460.556	1.395	40	70		JDIBRN
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000216815249	569879512	/nfs/dbraw/zinc/87/95/12/569879512.db2.gz	PNRACCWYQTZVLN-UHFFFAOYSA-N	0	0	495.001	1.995	40	70		JDIBRN
CN1CCN(C(=O)c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216814389	569879520	/nfs/dbraw/zinc/87/95/20/569879520.db2.gz	SBYAXCVUQNLSHN-UHFFFAOYSA-N	0	0	462.547	1.614	40	70		JDIBRN
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216817940	569879565	/nfs/dbraw/zinc/87/95/65/569879565.db2.gz	PEFMDTGNUBDJCX-QGZVFWFLSA-N	0	0	474.583	1.778	40	70		JDIBRN
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216829502	569879572	/nfs/dbraw/zinc/87/95/72/569879572.db2.gz	TUJKTHGXPUPYMQ-UHFFFAOYSA-N	0	0	474.583	1.778	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000216841830	569879752	/nfs/dbraw/zinc/87/97/52/569879752.db2.gz	SFQDVNBYQSFTPR-UHFFFAOYSA-N	0	0	496.611	1.182	40	70		JDIBRN
CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H]4[C@@H](C)C(=O)C[C@@H]2c2ccco2)CC1	ZINC000217511869	569880114	/nfs/dbraw/zinc/88/01/14/569880114.db2.gz	XOYYBFLPFJVFEL-STFKLWQYSA-N	0	0	483.521	1.381	40	70		JDIBRN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1	ZINC000217584722	569880353	/nfs/dbraw/zinc/88/03/53/569880353.db2.gz	HGWJIRWBIRIVAA-NSHGMRRFSA-N	0	0	464.522	1.356	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217584857	569880378	/nfs/dbraw/zinc/88/03/78/569880378.db2.gz	YPEAPJYRZDIADT-LESCRADOSA-N	0	0	454.914	1.958	40	70		JDIBRN
COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C1=O	ZINC000217590021	569880401	/nfs/dbraw/zinc/88/04/01/569880401.db2.gz	UASYAUMGHXCCKC-SXLOBPIMSA-N	0	0	478.549	1.746	40	70		JDIBRN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1OC	ZINC000217588704	569880405	/nfs/dbraw/zinc/88/04/05/569880405.db2.gz	WURBQSRYOZIRPJ-KSZLIROESA-N	0	0	480.521	1.322	40	70		JDIBRN
COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C1=O	ZINC000217591063	569880459	/nfs/dbraw/zinc/88/04/59/569880459.db2.gz	VYBMNWZLZKVIHS-UHOSZYNNSA-N	0	0	464.522	1.356	40	70		JDIBRN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000217802748	569881672	/nfs/dbraw/zinc/88/16/72/569881672.db2.gz	ROWZHUMUOLCXDE-QLDGJZPUSA-N	0	0	457.870	1.527	40	70		JDIBRN
COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1OC	ZINC000216783561	569879290	/nfs/dbraw/zinc/87/92/90/569879290.db2.gz	IQVFDSWWMMZOJQ-UHFFFAOYSA-N	0	0	477.583	1.621	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1N1CCN(C)CC1	ZINC000216795055	569879446	/nfs/dbraw/zinc/87/94/46/569879446.db2.gz	JYSSHTWEDLAPOI-UHFFFAOYSA-N	0	0	459.572	1.947	40	70		JDIBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl	ZINC000216810398	569879470	/nfs/dbraw/zinc/87/94/70/569879470.db2.gz	VSOQNONWGLTBCB-UHFFFAOYSA-N	0	0	495.001	1.995	40	70		JDIBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216806890	569879490	/nfs/dbraw/zinc/87/94/90/569879490.db2.gz	KPBMLLMDGHAYMZ-UHFFFAOYSA-N	0	0	460.556	1.342	40	70		JDIBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000216817158	569879610	/nfs/dbraw/zinc/87/96/10/569879610.db2.gz	CVUATYMGIYUEOT-QGZVFWFLSA-N	0	0	474.583	1.697	40	70		JDIBRN
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216830894	569879639	/nfs/dbraw/zinc/87/96/39/569879639.db2.gz	UEUJXAVNQKMSGL-UHFFFAOYSA-N	0	0	474.583	1.780	40	70		JDIBRN
O=C(C[C@@H]1NC(=O)N(CCc2ccc(F)cc2)C1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217632358	569880753	/nfs/dbraw/zinc/88/07/53/569880753.db2.gz	KHRMPSZQPLJTBW-SCTDSRPQSA-N	0	0	452.486	1.486	40	70		JDIBRN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2=O)cc1OC	ZINC000217738959	569881396	/nfs/dbraw/zinc/88/13/96/569881396.db2.gz	GZEBKOKFJPLJMI-OTWHNJEPSA-N	0	0	494.548	1.364	40	70		JDIBRN
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000217802259	569881706	/nfs/dbraw/zinc/88/17/06/569881706.db2.gz	KHUAMRHIACJIPJ-FDGPYGQJSA-N	0	0	451.454	1.420	40	70		JDIBRN
CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216840322	569879703	/nfs/dbraw/zinc/87/97/03/569879703.db2.gz	BQCLQYFOVSPSOJ-UHFFFAOYSA-N	0	0	480.612	1.102	40	70		JDIBRN
CCN(c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1)S(C)(=O)=O	ZINC000216843299	569879755	/nfs/dbraw/zinc/87/97/55/569879755.db2.gz	CUYGWLIECDYZQT-UHFFFAOYSA-N	0	0	474.583	1.878	40	70		JDIBRN
COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1S(=O)(=O)N(C)C	ZINC000216841692	569879757	/nfs/dbraw/zinc/87/97/57/569879757.db2.gz	VANMQGOMLYGASB-UHFFFAOYSA-N	0	0	460.556	1.585	40	70		JDIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000216841783	569879763	/nfs/dbraw/zinc/87/97/63/569879763.db2.gz	WHUHQWQJHAKJGP-UHFFFAOYSA-N	0	0	460.556	1.633	40	70		JDIBRN
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C1=O	ZINC000217581985	569880306	/nfs/dbraw/zinc/88/03/06/569880306.db2.gz	GIZAATNHZUKRNU-UHOSZYNNSA-N	0	0	464.522	1.703	40	70		JDIBRN