smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217024545	568470371	/nfs/dbraw/zinc/47/03/71/568470371.db2.gz	OVGNXHQKJLDNFP-FQEVSTJZSA-N	1	0	410.558	4.169	40	70		HIIBRO
O=C(NCc1nc(-c2ccccc2)no1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000218078257	568474940	/nfs/dbraw/zinc/47/49/40/568474940.db2.gz	AGPKLBSZOVJYHA-UHFFFAOYSA-N	1	0	424.504	4.225	40	70		HIIBRO
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000218050127	568474877	/nfs/dbraw/zinc/47/48/77/568474877.db2.gz	CIXNLLJRNOWTJA-NLSXBWCTSA-N	1	0	403.570	4.142	40	70		HIIBRO
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218049887	568474892	/nfs/dbraw/zinc/47/48/92/568474892.db2.gz	WDHMIBFAAGQCCY-AXRVMRSRSA-N	1	0	408.571	4.173	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CSCc3ccc(Cl)cc3)cc2)CC1	ZINC000216929037	568469265	/nfs/dbraw/zinc/46/92/65/568469265.db2.gz	FAQNWRCQMMBANP-UHFFFAOYSA-N	1	0	418.990	4.363	40	70		HIIBRO
CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028597	568470346	/nfs/dbraw/zinc/47/03/46/568470346.db2.gz	KTQCOSPYQGKJRJ-HSZRJFAPSA-N	1	0	410.558	4.250	40	70		HIIBRO
Cc1cc(C)cc(CSCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000216928685	568469227	/nfs/dbraw/zinc/46/92/27/568469227.db2.gz	ZDDUZJIWLHOXFW-UHFFFAOYSA-N	1	0	412.599	4.326	40	70		HIIBRO
CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028229	568470259	/nfs/dbraw/zinc/47/02/59/568470259.db2.gz	LOROWPWXULRCJE-QHCPKHFHSA-N	1	0	410.558	4.250	40	70		HIIBRO
Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000217024585	568470339	/nfs/dbraw/zinc/47/03/39/568470339.db2.gz	OVGNXHQKJLDNFP-HXUWFJFHSA-N	1	0	410.558	4.169	40	70		HIIBRO
CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028631	568470388	/nfs/dbraw/zinc/47/03/88/568470388.db2.gz	KTQCOSPYQGKJRJ-QHCPKHFHSA-N	1	0	410.558	4.250	40	70		HIIBRO
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218049961	568474844	/nfs/dbraw/zinc/47/48/44/568474844.db2.gz	WDHMIBFAAGQCCY-KAULMNLWSA-N	1	0	408.571	4.173	40	70		HIIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000217030301	568470282	/nfs/dbraw/zinc/47/02/82/568470282.db2.gz	GDTMVIJVUHIKTA-UHFFFAOYSA-N	1	0	412.405	4.054	40	70		HIIBRO
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000218050055	568474858	/nfs/dbraw/zinc/47/48/58/568474858.db2.gz	CIXNLLJRNOWTJA-OXPRRSNCSA-N	1	0	403.570	4.142	40	70		HIIBRO
CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026002	568470397	/nfs/dbraw/zinc/47/03/97/568470397.db2.gz	MJDSVAXHKRWUIQ-OAQYLSRUSA-N	1	0	416.949	4.287	40	70		HIIBRO
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217035353	568470516	/nfs/dbraw/zinc/47/05/16/568470516.db2.gz	HRYOYKIJWIJDAJ-QFIPXVFZSA-N	1	0	416.949	4.287	40	70		HIIBRO
O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000218613010	568482490	/nfs/dbraw/zinc/48/24/90/568482490.db2.gz	NKMZWRHZLJBIIM-UHFFFAOYSA-N	1	0	410.905	4.306	40	70		HIIBRO
CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000218613848	568482497	/nfs/dbraw/zinc/48/24/97/568482497.db2.gz	BUEIWRNEJLAFAD-UHFFFAOYSA-N	1	0	410.543	4.446	40	70		HIIBRO
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218012970	568474613	/nfs/dbraw/zinc/47/46/13/568474613.db2.gz	QFPOGUHTOWMFPG-XQYWTEMXSA-N	1	0	404.476	4.068	40	70		HIIBRO
Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1	ZINC000218613333	568482541	/nfs/dbraw/zinc/48/25/41/568482541.db2.gz	GVELIAXIWILXLR-UHFFFAOYSA-N	1	0	404.514	4.303	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CSc3ccc(Cl)cc3)cc2)CC1	ZINC000216927959	568469298	/nfs/dbraw/zinc/46/92/98/568469298.db2.gz	BGEAARORWYUCEL-UHFFFAOYSA-N	1	0	404.963	4.222	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216925234	568469232	/nfs/dbraw/zinc/46/92/32/568469232.db2.gz	SYNOHRMUULBGPW-UHFFFAOYSA-N	1	0	409.313	4.484	40	70		HIIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1	ZINC000217030076	568470379	/nfs/dbraw/zinc/47/03/79/568470379.db2.gz	PDNMWUMTFNDCSO-UHFFFAOYSA-N	1	0	412.405	4.054	40	70		HIIBRO
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218044593	568474921	/nfs/dbraw/zinc/47/49/21/568474921.db2.gz	GGGUEYCQLIHTKW-TXKCWOHGSA-N	1	0	421.516	4.115	40	70		HIIBRO
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000218611729	568482520	/nfs/dbraw/zinc/48/25/20/568482520.db2.gz	XUTNBCURDFAOGA-UHFFFAOYSA-N	1	0	410.905	4.258	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1	ZINC000216946740	568469701	/nfs/dbraw/zinc/46/97/01/568469701.db2.gz	YJPKCFXUORPRLB-UHFFFAOYSA-N	1	0	416.949	4.288	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216925271	568469339	/nfs/dbraw/zinc/46/93/39/568469339.db2.gz	ILCMDSKYIHLKBZ-UHFFFAOYSA-N	1	0	423.340	4.162	40	70		HIIBRO
CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217024183	568470332	/nfs/dbraw/zinc/47/03/32/568470332.db2.gz	CNIIYYUQLKWILK-LJQANCHMSA-N	1	0	410.558	4.367	40	70		HIIBRO
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218044668	568474835	/nfs/dbraw/zinc/47/48/35/568474835.db2.gz	GGGUEYCQLIHTKW-VQDLLJBESA-N	1	0	421.516	4.115	40	70		HIIBRO
Cc1cc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc(C)c1Cl	ZINC000217010920	568470113	/nfs/dbraw/zinc/47/01/13/568470113.db2.gz	QQWGVLKWFPASLW-UHFFFAOYSA-N	1	0	402.922	4.447	40	70		HIIBRO
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027212	568470327	/nfs/dbraw/zinc/47/03/27/568470327.db2.gz	JVHYIVQTDNFJRS-XMMPIXPASA-N	1	0	410.558	4.250	40	70		HIIBRO
Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)c1	ZINC000218613219	568482510	/nfs/dbraw/zinc/48/25/10/568482510.db2.gz	MQXRNNJRZILIEF-UHFFFAOYSA-N	1	0	404.514	4.303	40	70		HIIBRO
Cc1cc(OCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(C)c1Cl	ZINC000217010979	568470200	/nfs/dbraw/zinc/47/02/00/568470200.db2.gz	AUGDLPYSIDAAFT-UHFFFAOYSA-N	1	0	416.949	4.125	40	70		HIIBRO
CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217024139	568470393	/nfs/dbraw/zinc/47/03/93/568470393.db2.gz	CNIIYYUQLKWILK-IBGZPJMESA-N	1	0	410.558	4.367	40	70		HIIBRO
Cc1ccccc1NC(=O)C1([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CCC(C)CC1	ZINC000217424522	568472100	/nfs/dbraw/zinc/47/21/00/568472100.db2.gz	XYVZPNJLEQNOIM-IRDJYZNJSA-N	1	0	419.569	4.163	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CSCc3cccc(Cl)c3)cc2)CC1	ZINC000216928947	568469269	/nfs/dbraw/zinc/46/92/69/568469269.db2.gz	NUVPFJKXZVOYFZ-UHFFFAOYSA-N	1	0	418.990	4.363	40	70		HIIBRO
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218013062	568474649	/nfs/dbraw/zinc/47/46/49/568474649.db2.gz	QFPOGUHTOWMFPG-FOHILQBSSA-N	1	0	404.476	4.068	40	70		HIIBRO
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217027249	568470336	/nfs/dbraw/zinc/47/03/36/568470336.db2.gz	JVHYIVQTDNFJRS-DEOSSOPVSA-N	1	0	410.558	4.250	40	70		HIIBRO
CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026414	568470359	/nfs/dbraw/zinc/47/03/59/568470359.db2.gz	WNMZXMQMEXGFMK-JOCHJYFZSA-N	1	0	416.949	4.287	40	70		HIIBRO
COc1ccc(CSCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000218119031	568475277	/nfs/dbraw/zinc/47/52/77/568475277.db2.gz	HMNIHPWFQMZWDU-UHFFFAOYSA-N	1	0	400.544	4.040	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)CSCc3ccccc3Cl)cc2)CC1	ZINC000216928852	568469282	/nfs/dbraw/zinc/46/92/82/568469282.db2.gz	XDSLKYGWPUXANZ-UHFFFAOYSA-N	1	0	418.990	4.363	40	70		HIIBRO
CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026446	568470275	/nfs/dbraw/zinc/47/02/75/568470275.db2.gz	WNMZXMQMEXGFMK-QFIPXVFZSA-N	1	0	416.949	4.287	40	70		HIIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1	ZINC000217029957	568470319	/nfs/dbraw/zinc/47/03/19/568470319.db2.gz	AMPVFHWTZGFNJU-UHFFFAOYSA-N	1	0	412.405	4.054	40	70		HIIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1	ZINC000217030239	568470264	/nfs/dbraw/zinc/47/02/64/568470264.db2.gz	KNYXWKHKARUXOE-UHFFFAOYSA-N	1	0	412.405	4.054	40	70		HIIBRO
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217026042	568470385	/nfs/dbraw/zinc/47/03/85/568470385.db2.gz	MJDSVAXHKRWUIQ-NRFANRHFSA-N	1	0	416.949	4.287	40	70		HIIBRO
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217035316	568470498	/nfs/dbraw/zinc/47/04/98/568470498.db2.gz	HRYOYKIJWIJDAJ-JOCHJYFZSA-N	1	0	416.949	4.287	40	70		HIIBRO
COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)c1	ZINC000218613428	568482487	/nfs/dbraw/zinc/48/24/87/568482487.db2.gz	ZNEZXQWFWDLWCV-UHFFFAOYSA-N	1	0	420.513	4.003	40	70		HIIBRO
C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1	ZINC000217011229	568470208	/nfs/dbraw/zinc/47/02/08/568470208.db2.gz	FHRYMSBAJOTOSM-UHFFFAOYSA-N	1	0	410.558	4.152	40	70		HIIBRO
CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000217028188	568470375	/nfs/dbraw/zinc/47/03/75/568470375.db2.gz	LOROWPWXULRCJE-HSZRJFAPSA-N	1	0	410.558	4.250	40	70		HIIBRO
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1	ZINC000218613532	568482485	/nfs/dbraw/zinc/48/24/85/568482485.db2.gz	BDSBGIVKIOGWKX-UHFFFAOYSA-N	1	0	420.513	4.003	40	70		HIIBRO
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000218613118	568482505	/nfs/dbraw/zinc/48/25/05/568482505.db2.gz	QMYWLLAAWSHUBD-UHFFFAOYSA-N	1	0	410.905	4.306	40	70		HIIBRO