smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(CCNC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006224576	374245446	/nfs/dbraw/zinc/24/54/46/374245446.db2.gz	COCHPQSUXMHTDB-UHFFFAOYSA-N	-1	0	338.345	-1.284	50	10		EACARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000006557637	374245242	/nfs/dbraw/zinc/24/52/42/374245242.db2.gz	SWBNNASHQGCTBC-SDQBBNPISA-N	-1	0	349.343	-1.546	50	10		EACARM
CN1C(=O)C(=CN[C@H](CC[S@@](C)=O)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020412100	212127203	/nfs/dbraw/zinc/12/72/03/212127203.db2.gz	YNKAVFKHRJTFFQ-PJLCYMMNSA-N	-1	0	331.350	-1.268	50	10		EACARM
CN1C(=O)C(=CN[C@H](CC[S@](C)=O)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020412102	212126947	/nfs/dbraw/zinc/12/69/47/212126947.db2.gz	YNKAVFKHRJTFFQ-CWMRNNLJSA-N	-1	0	331.350	-1.268	50	10		EACARM
CN1C(=O)C(=CN[C@@H](CC[S@@](C)=O)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020412106	212126468	/nfs/dbraw/zinc/12/64/68/212126468.db2.gz	YNKAVFKHRJTFFQ-ZCAPAMDOSA-N	-1	0	331.350	-1.268	50	10		EACARM
CN1C(=O)C(=CN[C@@H](CC[S@](C)=O)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020412110	212127309	/nfs/dbraw/zinc/12/73/09/212127309.db2.gz	YNKAVFKHRJTFFQ-QSIZCVBASA-N	-1	0	331.350	-1.268	50	10		EACARM
CCC[C@@H](NC(=O)CNC=C1C(=O)N(C)C(=O)N(C)C1=O)C(=O)[O-]	ZINC000022242211	374262504	/nfs/dbraw/zinc/26/25/04/374262504.db2.gz	XICGFHQBMLTUAO-SECBINFHSA-N	-1	0	340.336	-1.120	50	10		EACARM
CCC[C@H](NC(=O)CNC=C1C(=O)N(C)C(=O)N(C)C1=O)C(=O)[O-]	ZINC000022242214	212285487	/nfs/dbraw/zinc/28/54/87/212285487.db2.gz	XICGFHQBMLTUAO-VIFPVBQESA-N	-1	0	340.336	-1.120	50	10		EACARM
CN1C(=O)[N-]C(=O)C(=CN[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O	ZINC000100770370	219106150	/nfs/dbraw/zinc/10/61/50/219106150.db2.gz	ULCSTDVDCYZFDI-PFRDROHPSA-N	-1	0	331.281	-4.032	50	10		EACARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1	ZINC000101110743	414883705	/nfs/dbraw/zinc/88/37/05/414883705.db2.gz	WMKQCGJZACXPHH-SDQBBNPISA-N	-1	0	349.343	-1.233	50	10		EACARM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)C1=O	ZINC000253487957	375177947	/nfs/dbraw/zinc/17/79/47/375177947.db2.gz	ULCSTDVDCYZFDI-KKCYUIIGSA-N	-1	0	331.281	-3.192	50	10		EACARM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O	ZINC000253487958	375177293	/nfs/dbraw/zinc/17/72/93/375177293.db2.gz	ULCSTDVDCYZFDI-OBGCWUKUSA-N	-1	0	331.281	-3.192	50	10		EACARM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@H]2O)C1=O	ZINC000253487959	375177926	/nfs/dbraw/zinc/17/79/26/375177926.db2.gz	ULCSTDVDCYZFDI-OVFPDTMUSA-N	-1	0	331.281	-3.192	50	10		EACARM
CN1C(=O)[N-]C(=O)C(=CN[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)C1=O	ZINC000253487960	375178042	/nfs/dbraw/zinc/17/80/42/375178042.db2.gz	ULCSTDVDCYZFDI-QAXODFMYSA-N	-1	0	331.281	-3.192	50	10		EACARM
Cn1c([O-])c(C=CC=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O	ZINC000685944752	545671064	/nfs/dbraw/zinc/67/10/64/545671064.db2.gz	VCGBVYZFGISYKK-AATRIKPKSA-N	-1	0	347.307	-1.847	50	10		EACARM