smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cccc(Br)c1CN1CCn2c(c(Br)nc2C(F)(F)F)C1	ZINC001474744529	1067085660	/nfs/dbraw/zinc/08/56/60/1067085660.db2.gz	JDGJLEZLPVAPCM-UHFFFAOYSA-N	-1	3	455.072	4.148	20	10		JICDHM
CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(N4CCOCC4)cc3)nc(=O)c2c1C	ZINC001328384108	1066322991	/nfs/dbraw/zinc/32/29/91/1066322991.db2.gz	GCQJDPMPOSRMPQ-FOWTUZBSSA-N	-1	3	459.955	4.456	20	10		JICDHM
[O-]c1c(O)cc2c(c1Cl)CCN(C(=S)NCc1ccc3c(c1)OCO3)C[C@@H]2c1ccc(O)cc1	ZINC001200726665	1069407006	/nfs/dbraw/zinc/40/70/06/1069407006.db2.gz	JGRDEAZMZCIPDU-LJQANCHMSA-N	-1	3	498.988	4.250	20	10		JICDHM
COc1cc(OC)nc(C(=O)[N-]c2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)n1	ZINC001349821084	1066886834	/nfs/dbraw/zinc/88/68/34/1066886834.db2.gz	YYASUBHWCQNGPQ-UHFFFAOYSA-N	-1	3	453.499	4.416	20	10		JICDHM
Cc1cc(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1ccc(OC(F)F)cc1	ZINC001317838815	1066723433	/nfs/dbraw/zinc/72/34/33/1066723433.db2.gz	QXYCARNTHFHKAI-MRXNPFEDSA-N	-1	3	473.476	4.247	20	10		JICDHM
Cc1cccc(S(=O)(=O)N2CCc3c(Cl)c([O-])c(O)cc3[C@@H](c3ccc(O)cc3)C2)c1F	ZINC001200767233	1067070005	/nfs/dbraw/zinc/07/00/05/1067070005.db2.gz	CBVQBQZSGIYFRT-GOSISDBHSA-N	-1	3	477.941	4.283	20	10		JICDHM
[O-]c1c(O)cc2c(c1Cl)CCN(C(=S)NCc1ccc3c(c1)OCO3)C[C@H]2c1ccc(O)cc1	ZINC001200726572	1069406252	/nfs/dbraw/zinc/40/62/52/1069406252.db2.gz	JGRDEAZMZCIPDU-IBGZPJMESA-N	-1	3	498.988	4.250	20	10		JICDHM
Cc1cc(C(=O)COC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1cccc(Br)c1	ZINC001317826388	1066711860	/nfs/dbraw/zinc/71/18/60/1066711860.db2.gz	FQHQTETYIQQHRZ-UHFFFAOYSA-N	-1	3	472.339	4.019	20	10		JICDHM
Cc1cc(C(=O)COC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1ccc(Br)cc1	ZINC001337344691	1066475051	/nfs/dbraw/zinc/47/50/51/1066475051.db2.gz	JAKBPBBCWBTPQF-UHFFFAOYSA-N	-1	3	472.339	4.019	20	10		JICDHM
Cc1cc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1ccc(OC(F)F)cc1	ZINC001317838806	1066723400	/nfs/dbraw/zinc/72/34/00/1066723400.db2.gz	QXYCARNTHFHKAI-INIZCTEOSA-N	-1	3	473.476	4.247	20	10		JICDHM
Cc1cccc(S(=O)(=O)N2CCc3c(Cl)c([O-])c(O)cc3[C@H](c3ccc(O)cc3)C2)c1F	ZINC001200767234	1067069960	/nfs/dbraw/zinc/06/99/60/1067069960.db2.gz	CBVQBQZSGIYFRT-SFHVURJKSA-N	-1	3	477.941	4.283	20	10		JICDHM
CCn1c2ccccc2c2cc(CN(C)C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc21	ZINC001324071850	1067332499	/nfs/dbraw/zinc/33/24/99/1067332499.db2.gz	OWJWYTMXVGURCG-UHFFFAOYSA-N	-1	3	451.548	4.164	20	10		JICDHM
Cc1cc(C(=O)COC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1	ZINC001317818757	1066707561	/nfs/dbraw/zinc/70/75/61/1066707561.db2.gz	LZLTWUYGCWSTQX-UHFFFAOYSA-N	-1	3	477.439	4.155	20	10		JICDHM
Cc1cc(C(=O)COC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1-c1ccc(Br)c(C)c1	ZINC001317826886	1066711719	/nfs/dbraw/zinc/71/17/19/1066711719.db2.gz	KNMGAKXCRSFGQK-UHFFFAOYSA-N	-1	3	486.366	4.328	20	10		JICDHM