smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F	ZINC000045244916	205094626	/nfs/dbraw/zinc/09/46/26/205094626.db2.gz	NXLAZHQUAULWQA-UHFFFAOYSA-N	0	3	398.522	5.534	1	10		GKCFHN
CO[P@@](C)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000100770125	205611923	/nfs/dbraw/zinc/61/19/23/205611923.db2.gz	IZHBEGPLKDYMFZ-HHHXNRCGSA-N	0	3	377.384	6.013	1	10		GKCFHN
COc1ccc(-n2c(C)c(CN3CCSCC3)cc2-c2ccc(F)cc2)cc1	ZINC000064393098	222070983	/nfs/dbraw/zinc/07/09/83/222070983.db2.gz	NOUJAQLQJAWDKX-UHFFFAOYSA-N	0	3	396.531	5.149	1	10		GKCFHN
Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000036472081	205018220	/nfs/dbraw/zinc/01/82/20/205018220.db2.gz	RCTFNJQMJNVBSS-UHFFFAOYSA-N	0	3	380.532	5.449	1	10		GKCFHN
CCc1c(CN2CCSCC2)cc(-c2ccc(C)cc2)n1-c1ccc(F)cc1	ZINC000045256285	205093803	/nfs/dbraw/zinc/09/38/03/205093803.db2.gz	ZDVOERUUFSVSCF-UHFFFAOYSA-N	0	3	394.559	5.703	1	10		GKCFHN
CCc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1	ZINC000095536752	222354693	/nfs/dbraw/zinc/35/46/93/222354693.db2.gz	PDSWZHVMHKGLBF-UHFFFAOYSA-N	0	3	380.532	5.395	1	10		GKCFHN
CC1=N[C@@H](N)OC(c2ccc(Nc3c4ccccc4nc4ccccc43)cc2)=C1	ZINC000084688610	211174376	/nfs/dbraw/zinc/17/43/76/211174376.db2.gz	VXUPTBLIWQOHCQ-XMMPIXPASA-N	0	3	380.451	5.206	1	10		GKCFHN
Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000052986894	222007805	/nfs/dbraw/zinc/00/78/05/222007805.db2.gz	KRTSOBVCKXYKLO-UHFFFAOYSA-N	0	3	382.960	5.655	1	10		GKCFHN
CN(C)Cc1ccc2n1-c1ccccc1SC2(c1ccccc1)c1ccccc1	ZINC000013651992	210076024	/nfs/dbraw/zinc/07/60/24/210076024.db2.gz	VXNOPNLKILRZGK-UHFFFAOYSA-N	0	3	396.559	5.937	1	10		GKCFHN
Cc1cccc2c1nc1c(C)cccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000026842366	207319596	/nfs/dbraw/zinc/31/95/96/207319596.db2.gz	MHTXIVJIMWWFFJ-UHFFFAOYSA-N	0	3	391.496	5.120	1	10		GKCFHN
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C)cccc32)cc1	ZINC000028003491	207333415	/nfs/dbraw/zinc/33/34/15/207333415.db2.gz	JFPPULGWMQNZJS-UHFFFAOYSA-N	0	3	391.496	5.202	1	10		GKCFHN
CO[P@](C)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000028240767	207337187	/nfs/dbraw/zinc/33/71/87/207337187.db2.gz	IZHBEGPLKDYMFZ-MHZLTWQESA-N	0	3	377.384	6.013	1	10		GKCFHN
CCCCCC[NH2+]Cc1c([O-])ccc2c1ccc([O-])c2C[NH2+]CCCCCC	ZINC000045189307	205092325	/nfs/dbraw/zinc/09/23/25/205092325.db2.gz	BZTKZXJOYXZZHH-UHFFFAOYSA-N	0	3	386.580	5.591	1	10		GKCFHN
CCc1ccc(-n2c(C)c(CN3CCSCC3)cc2-c2ccc(F)cc2)cc1	ZINC000040937976	205075773	/nfs/dbraw/zinc/07/57/73/205075773.db2.gz	QIAJXGOYXKMPJB-UHFFFAOYSA-N	0	3	394.559	5.703	1	10		GKCFHN
CCCCN(CCCC)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026579735	207315911	/nfs/dbraw/zinc/31/59/11/207315911.db2.gz	JJNWCXZRGFDPSP-UHFFFAOYSA-N	0	3	397.566	7.538	1	10		GKCFHN
[O-]c1c(O)cc2c(c1Cl)CC[N@H+](Cc1cccs1)C[C@@H]2c1ccccc1	ZINC000027182809	207324512	/nfs/dbraw/zinc/32/45/12/207324512.db2.gz	ORXQGFLOEUYCGK-GOSISDBHSA-N	0	3	385.916	5.003	1	10		GKCFHN
[O-]c1c(O)cc2c(c1Cl)CC[N@@H+](Cc1cccs1)C[C@@H]2c1ccccc1	ZINC000027182809	207324515	/nfs/dbraw/zinc/32/45/15/207324515.db2.gz	ORXQGFLOEUYCGK-GOSISDBHSA-N	0	3	385.916	5.003	1	10		GKCFHN
Cc1cc(NS(C)(=O)=O)cc(C)c1Nc1c2ccccc2nc2ccccc21	ZINC000029397857	207362080	/nfs/dbraw/zinc/36/20/80/207362080.db2.gz	PDYSJYODMRGHAC-UHFFFAOYSA-N	0	3	391.496	5.120	1	10		GKCFHN
[O-]c1ccc2c(ccc([O-])c2C[NH2+]C2CCCCC2)c1C[NH2+]C1CCCCC1	ZINC000045334621	205096486	/nfs/dbraw/zinc/09/64/86/205096486.db2.gz	NODBQTJRRDCYMX-UHFFFAOYSA-N	0	3	382.548	5.096	1	10		GKCFHN
CC1=N[C@H](N)OC(c2ccc(Nc3c4ccccc4nc4ccccc43)cc2)=C1	ZINC000084688609	205399279	/nfs/dbraw/zinc/39/92/79/205399279.db2.gz	VXUPTBLIWQOHCQ-DEOSSOPVSA-N	0	3	380.451	5.206	1	10		GKCFHN
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C)ccc32)cc1	ZINC000026840609	221646907	/nfs/dbraw/zinc/64/69/07/221646907.db2.gz	YPXOBBZUGXYBDC-UHFFFAOYSA-N	0	3	391.496	5.202	1	10		GKCFHN
Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1	ZINC000053166485	205134428	/nfs/dbraw/zinc/13/44/28/205134428.db2.gz	OREKIOHQZNWTAI-UHFFFAOYSA-N	0	3	384.495	5.280	1	10		GKCFHN
COc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1	ZINC000064453930	205190341	/nfs/dbraw/zinc/19/03/41/205190341.db2.gz	ZBGHUZCIFHHRMW-UHFFFAOYSA-N	0	3	396.531	5.149	1	10		GKCFHN