smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@]2(C)C(=S)[N-]c3ccccc3[C@@H]2Nc2ccccc21	ZINC000005741553	181279503	/nfs/dbraw/zinc/27/95/03/181279503.db2.gz	GIOXOKCOEIYGEN-LWLIDHTLSA-N	-1	3	308.450	5.106	1	0		DKAFHM
C[C@H]1C[C@]2(C)C(=S)[N-]c3ccccc3[C@@H]2Nc2ccccc21	ZINC000005741556	181279117	/nfs/dbraw/zinc/27/91/17/181279117.db2.gz	GIOXOKCOEIYGEN-KHDYIWLOSA-N	-1	3	308.450	5.106	1	0		DKAFHM
COc1c2occc2c([O-])c(-c2ccccc2)c1-c1ccccc1	ZINC000005998582	181304417	/nfs/dbraw/zinc/30/44/17/181304417.db2.gz	OIMNNTAJKKFDMC-UHFFFAOYSA-N	-1	3	316.356	5.481	1	0		DKAFHM
S=C1[N-]c2ccc(-c3cccc(Cl)c3)cc2C12CCCC2	ZINC000013488894	581101665	/nfs/dbraw/zinc/10/16/65/581101665.db2.gz	MKIGJOKMZUSJGM-UHFFFAOYSA-N	-1	3	313.853	5.572	1	0		DKAFHM
CCCC[C@H]1c2cc([O-])ccc2C(CC)=C1c1ccc(O)cc1	ZINC000013555424	181861131	/nfs/dbraw/zinc/86/11/31/181861131.db2.gz	WJXKUOXQBINDTR-IBGZPJMESA-N	-1	3	308.421	5.706	1	0		DKAFHM
CCCC[C@@H]1c2cc([O-])ccc2C(CC)=C1c1ccc(O)cc1	ZINC000013555430	181861493	/nfs/dbraw/zinc/86/14/93/181861493.db2.gz	WJXKUOXQBINDTR-LJQANCHMSA-N	-1	3	308.421	5.706	1	0		DKAFHM
CC(C)c1cc([O-])c2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C	ZINC000014442337	560221475	/nfs/dbraw/zinc/22/14/75/560221475.db2.gz	LKYPROMZJWLFHC-PXNSSMCTSA-N	-1	3	300.442	5.186	1	0	biogenic,in-vitro	DKAFHM
CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c([O-])c1	ZINC000029061534	182550498	/nfs/dbraw/zinc/55/04/98/182550498.db2.gz	YJSDMDYNCMZAED-UHFFFAOYSA-N	-1	3	311.208	5.834	1	0	in-vivo	DKAFHM
[O-]c1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1F	ZINC000040974048	183153362	/nfs/dbraw/zinc/15/33/62/183153362.db2.gz	NMAVKSKFHMREEO-GOSISDBHSA-N	-1	3	319.379	5.062	1	0		DKAFHM
[O-]c1ccc(-c2ccc3c(c2)CCC[C@H]3c2ccncc2)cc1F	ZINC000040974050	183153734	/nfs/dbraw/zinc/15/37/34/183153734.db2.gz	NMAVKSKFHMREEO-SFHVURJKSA-N	-1	3	319.379	5.062	1	0		DKAFHM
Cc1ccc(NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])cc1	ZINC000072108933	191038124	/nfs/dbraw/zinc/03/81/24/191038124.db2.gz	OWFIDVMOOPWGNR-UHFFFAOYSA-N	-1	3	311.425	5.200	1	0		DKAFHM
[O-]c1ccc(-c2ccc(-c3ccc(O)cc3Cl)o2)c(Cl)c1	ZINC000095588192	185381705	/nfs/dbraw/zinc/38/17/05/185381705.db2.gz	GTBPLESAZYJDGC-UHFFFAOYSA-N	-1	3	321.159	5.332	1	0		DKAFHM
Cc1cc(O)ccc1-c1ccc(-c2ccc([O-])cc2Cl)s1	ZINC000095590209	185382029	/nfs/dbraw/zinc/38/20/29/185382029.db2.gz	PXXCXFQBMVJSRQ-UHFFFAOYSA-N	-1	3	316.809	5.455	1	0		DKAFHM
[O-]c1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1	ZINC000095590211	185382076	/nfs/dbraw/zinc/38/20/76/185382076.db2.gz	XJYKKIXCQQOKHH-UHFFFAOYSA-N	-1	3	321.159	5.332	1	0	in-vitro	DKAFHM
CC(C)c1cc2c(cc1[O-])[C@]1(C)CCCC(C)(C)[C@H]1CC2=O	ZINC000100782616	571838246	/nfs/dbraw/zinc/83/82/46/571838246.db2.gz	UIJOYOSDYSTACV-QUCCMNQESA-N	-1	3	300.442	5.512	1	0	endogenous,in-man	DKAFHM
CC(C)c1cc2c(cc1[O-])[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000100782619	571838251	/nfs/dbraw/zinc/83/82/51/571838251.db2.gz	UIJOYOSDYSTACV-ICSRJNTNSA-N	-1	3	300.442	5.512	1	0	endogenous,in-man	DKAFHM
CC(C)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O	ZINC000100782622	571838101	/nfs/dbraw/zinc/83/81/01/571838101.db2.gz	UIJOYOSDYSTACV-UYAOXDASSA-N	-1	3	300.442	5.512	1	0	endogenous,in-man	DKAFHM
CC(C)c1cc2c(cc1[O-])[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000100782623	571838177	/nfs/dbraw/zinc/83/81/77/571838177.db2.gz	UIJOYOSDYSTACV-AZUAARDMSA-N	-1	3	300.442	5.512	1	0	endogenous,in-man	DKAFHM