smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1c1cccnc1	ZINC000022023323	212270643	/nfs/dbraw/zinc/27/06/43/212270643.db2.gz	ZUCUPAKYMMMZRG-MRXNPFEDSA-N	-1	1	337.250	4.821	50	10		EJCAMM
Cc1cc2c(n1-c1cc(Cl)c([O-])c(Cl)c1)CC(C)(C)CC2=O	ZINC000002512808	563435327	/nfs/dbraw/zinc/43/53/27/563435327.db2.gz	ALZFSHITWHCRDU-UHFFFAOYSA-N	-1	1	338.234	4.953	50	10		EJCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(F)cc1	ZINC000033322338	563974013	/nfs/dbraw/zinc/97/40/13/563974013.db2.gz	YQKJSYCUHHVUDH-ZSOIEALJSA-N	-1	1	332.425	4.562	50	10		EJCAMM
CCCCCCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000009192510	211050030	/nfs/dbraw/zinc/05/00/30/211050030.db2.gz	QZCMJFNGQNVXLR-LFIBNONCSA-N	-1	1	344.505	4.710	50	10		EJCAMM
O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1ccccc1	ZINC000018081380	564017908	/nfs/dbraw/zinc/01/79/08/564017908.db2.gz	JGHSIHWEEQODNJ-FMQUCBEESA-N	-1	1	337.404	4.903	50	10		EJCAMM
CCCCN(CCCC)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000015016515	563772790	/nfs/dbraw/zinc/77/27/90/563772790.db2.gz	KNESITAUUQWOSN-SSZFMOIBSA-N	-1	1	348.537	4.582	50	10		EJCAMM
O=C1[N-]C(=S)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1	ZINC000002422777	201532474	/nfs/dbraw/zinc/53/24/74/201532474.db2.gz	MKQQGLKYMSNYAN-GHXNOFRVSA-N	-1	1	344.442	4.681	50	10		EJCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(C)c1	ZINC000033352692	564050139	/nfs/dbraw/zinc/05/01/39/564050139.db2.gz	BIILOYLDHQNEBF-DHDCSXOGSA-N	-1	1	328.462	4.732	50	10		EJCAMM
[O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@H]1c1cccnc1	ZINC000022023324	212271082	/nfs/dbraw/zinc/27/10/82/212271082.db2.gz	ZUCUPAKYMMMZRG-INIZCTEOSA-N	-1	1	337.250	4.821	50	10		EJCAMM
Cc1ccccc1NCc1cc2c3c(c(=O)oc2c(C)c1[O-])CCCC3	ZINC000008997548	211030014	/nfs/dbraw/zinc/03/00/14/211030014.db2.gz	FTWJMEABNVFFMX-UHFFFAOYSA-N	-1	1	349.430	4.606	50	10		EJCAMM
O=C1[N-]C(=S)C(=Cc2ccc(-c3nc4ccccc4s3)o2)S1	ZINC000002422776	564002140	/nfs/dbraw/zinc/00/21/40/564002140.db2.gz	MKQQGLKYMSNYAN-KPKJPENVSA-N	-1	1	344.442	4.681	50	10		EJCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Cl)cc(Cl)c1	ZINC000013395682	564136343	/nfs/dbraw/zinc/13/63/43/564136343.db2.gz	AQWWJKBVOMLHII-YBEGLDIGSA-N	-1	1	346.217	4.712	50	10		EJCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Cl)cc(Cl)c1	ZINC000100148767	219092207	/nfs/dbraw/zinc/09/22/07/219092207.db2.gz	AQWWJKBVOMLHII-MHWRWJLKSA-N	-1	1	346.217	4.712	50	10		EJCAMM
CC(C)CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000017071491	563834659	/nfs/dbraw/zinc/83/46/59/563834659.db2.gz	WIQNKRTZONJYBZ-MDWZMJQESA-N	-1	1	341.885	4.665	50	10		EJCAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C)cc1	ZINC000014011285	563735213	/nfs/dbraw/zinc/73/52/13/563735213.db2.gz	GLMSHULJQBPZCX-DHDCSXOGSA-N	-1	1	328.462	4.732	50	10		EJCAMM
Cc1ccc(Oc2cc([O-])c3c4c2noc4-c2ccccc2C3=O)cc1	ZINC000000280856	563271931	/nfs/dbraw/zinc/27/19/31/563271931.db2.gz	JOVYPYIPNCZZFU-UHFFFAOYSA-N	-1	1	343.338	4.846	50	10		EJCAMM
CCCCOc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O	ZINC000015016549	563772818	/nfs/dbraw/zinc/77/28/18/563772818.db2.gz	IUJLITCJDGJSKS-WJDWOHSUSA-N	-1	1	343.473	4.508	50	10		EJCAMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000001139055	564116852	/nfs/dbraw/zinc/11/68/52/564116852.db2.gz	ZWXSPSKRYAJYQU-WOJGMQOQSA-N	-1	1	348.427	4.571	50	10		EJCAMM
CCCCOc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O	ZINC000002834873	564152815	/nfs/dbraw/zinc/15/28/15/564152815.db2.gz	IUJLITCJDGJSKS-LFIBNONCSA-N	-1	1	343.473	4.508	50	10		EJCAMM
O=C1c2ccccc2-c2onc3c2c1c([O-])cc3Oc1ccccc1	ZINC000002896111	563462458	/nfs/dbraw/zinc/46/24/58/563462458.db2.gz	VFFLRXLCOBABIU-UHFFFAOYSA-N	-1	1	329.311	4.537	50	10		EJCAMM