smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1	ZINC000218325294	568478513	/nfs/dbraw/zinc/47/85/13/568478513.db2.gz	CTQPFZHKOPLTHC-DEOSSOPVSA-N	0	3	423.582	3.327	40	70		HGIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216948311	568469717	/nfs/dbraw/zinc/46/97/17/568469717.db2.gz	OSMMZEDANYREFJ-UHFFFAOYSA-N	0	3	408.951	3.433	40	70		HGIBHN
CN1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	ZINC000218093912	568475194	/nfs/dbraw/zinc/47/51/94/568475194.db2.gz	HTYXQXXSJBKBER-HSZRJFAPSA-N	0	3	409.555	3.285	40	70		HGIBHN
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000217440161	568471979	/nfs/dbraw/zinc/47/19/79/568471979.db2.gz	RJIRXXZCCHBEJI-SQWLQELKSA-N	0	3	409.313	3.014	40	70		HGIBHN
COc1ccc(CCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC	ZINC000217021375	568470166	/nfs/dbraw/zinc/47/01/66/568470166.db2.gz	ICSZLCVKFQNUFE-UHFFFAOYSA-N	0	3	412.530	3.426	40	70		HGIBHN
CN1CCN(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1	ZINC000217013767	568470241	/nfs/dbraw/zinc/47/02/41/568470241.db2.gz	ZAKWDHVELMALSC-UHFFFAOYSA-N	0	3	401.938	3.286	40	70		HGIBHN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C)CC3)cc2Cl)cc1	ZINC000217022407	568470396	/nfs/dbraw/zinc/47/03/96/568470396.db2.gz	LFESKDOXCNTSSW-UHFFFAOYSA-N	0	3	421.950	3.273	40	70		HGIBHN
CN1CCC(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	ZINC000218093820	568475136	/nfs/dbraw/zinc/47/51/36/568475136.db2.gz	HTYXQXXSJBKBER-QHCPKHFHSA-N	0	3	409.555	3.285	40	70		HGIBHN
CN1CCC(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1	ZINC000218325373	568478494	/nfs/dbraw/zinc/47/84/94/568478494.db2.gz	CTQPFZHKOPLTHC-XMMPIXPASA-N	0	3	423.582	3.327	40	70		HGIBHN
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c(C)c1	ZINC000216940977	568469572	/nfs/dbraw/zinc/46/95/72/568469572.db2.gz	RQZCFKRAFMJEAU-UHFFFAOYSA-N	0	3	415.559	3.237	40	70		HGIBHN
CCOc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216938355	568469397	/nfs/dbraw/zinc/46/93/97/568469397.db2.gz	KMLFWGHWWOGHHG-UHFFFAOYSA-N	0	3	404.532	3.037	40	70		HGIBHN
Cc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1NS(C)(=O)=O	ZINC000216944411	568469626	/nfs/dbraw/zinc/46/96/26/568469626.db2.gz	NAUBIIXAEQPWBL-UHFFFAOYSA-N	0	3	417.531	3.092	40	70		HGIBHN
Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1NS(C)(=O)=O	ZINC000216944637	568469592	/nfs/dbraw/zinc/46/95/92/568469592.db2.gz	BRNSNGRNWQVPRB-UHFFFAOYSA-N	0	3	417.531	3.092	40	70		HGIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3Cl)cc2)CC1	ZINC000216948035	568469727	/nfs/dbraw/zinc/46/97/27/568469727.db2.gz	USRDVZVJQLSSAG-UHFFFAOYSA-N	0	3	408.951	3.433	40	70		HGIBHN
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1Cl	ZINC000216941820	568469628	/nfs/dbraw/zinc/46/96/28/568469628.db2.gz	YMHOCXKSSWKPEV-UHFFFAOYSA-N	0	3	424.950	3.300	40	70		HGIBHN
Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000216944173	568469621	/nfs/dbraw/zinc/46/96/21/568469621.db2.gz	RZCJOLMNGXKLGR-UHFFFAOYSA-N	0	3	417.531	3.092	40	70		HGIBHN
CSc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216941895	568469576	/nfs/dbraw/zinc/46/95/76/568469576.db2.gz	UEUVPMJCJAIODS-UHFFFAOYSA-N	0	3	406.573	3.360	40	70		HGIBHN
COc1cc(OC)cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1	ZINC000217010509	568470218	/nfs/dbraw/zinc/47/02/18/568470218.db2.gz	PWTNEZBESQTNDJ-UHFFFAOYSA-N	0	3	400.475	3.194	40	70		HGIBHN
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216945249	568469570	/nfs/dbraw/zinc/46/95/70/568469570.db2.gz	LTOFWRHUOFYQJU-UHFFFAOYSA-N	0	3	417.531	3.174	40	70		HGIBHN
CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1	ZINC000216948176	568469816	/nfs/dbraw/zinc/46/98/16/568469816.db2.gz	MDVVXWGCJIMCSY-UHFFFAOYSA-N	0	3	408.951	3.433	40	70		HGIBHN