smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)nc1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000005008944	204102214	/nfs/dbraw/zinc/10/22/14/204102214.db2.gz	MXOXOMWKPSFGBE-UHFFFAOYSA-N	0	3	393.468	4.512	40	10		GJCBHN
Cc1cccc2c1nc1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000005008934	204102100	/nfs/dbraw/zinc/10/21/00/204102100.db2.gz	BGCDRFRIYSWZDU-UHFFFAOYSA-N	0	3	377.469	4.812	40	10		GJCBHN
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3C4=CC[C@H](CC([O-])=C[N+]#N)[C@@]4(C)CC[C@@H]32)C1	ZINC000013423832	290685070	/nfs/dbraw/zinc/68/50/70/290685070.db2.gz	AQCXSKKPNFSFAR-WYUGEEFQSA-N	0	3	398.547	4.757	40	10	biogenic,in-vitro	GJCBHN
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1	ZINC000010113239	570782354	/nfs/dbraw/zinc/78/23/54/570782354.db2.gz	YRDQBJKPEXSQBT-UHFFFAOYSA-N	0	3	391.559	4.593	40	10		GJCBHN
CCC1(O)[C@@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000005444263	570255145	/nfs/dbraw/zinc/25/51/45/570255145.db2.gz	KJQBZHDKPAMYIE-UGITZUONSA-N	0	3	395.591	4.618	40	10		GJCBHN
Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(N3CCCC3)c(F)c2)o1	ZINC000036740261	205022284	/nfs/dbraw/zinc/02/22/84/205022284.db2.gz	XDLDVYGKYWDOIE-UHFFFAOYSA-N	0	3	396.510	4.616	40	10		GJCBHN
Cc1ccc(CN(Cc2cc(C)n(-c3ccc(C)cn3)c2C)C[C@@H](C)O)s1	ZINC000019216209	210232090	/nfs/dbraw/zinc/23/20/90/210232090.db2.gz	XEMZNMCKJIQTBB-QGZVFWFLSA-N	0	3	383.561	4.550	40	10		GJCBHN
Cc1cccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c12	ZINC000005009005	204102252	/nfs/dbraw/zinc/10/22/52/204102252.db2.gz	PGURMNOMVIGHJD-UHFFFAOYSA-N	0	3	377.469	4.812	40	10		GJCBHN
CC[C@@H](c1ccc(O)c(CN2CCN(C)CC2)c1)[C@H](CC)c1ccc(OC)cc1	ZINC000019366908	210244271	/nfs/dbraw/zinc/24/42/71/210244271.db2.gz	ORAVMMPYPPCELG-RPWUZVMVSA-N	0	3	396.575	4.836	40	10		GJCBHN
CCC1(O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000008818420	204291673	/nfs/dbraw/zinc/29/16/73/204291673.db2.gz	KJQBZHDKPAMYIE-SCQYUHHQSA-N	0	3	395.591	4.618	40	10		GJCBHN
Cc1ccc(CN(Cc2cc(C)n(-c3ccc(C)cn3)c2C)C[C@H](C)O)s1	ZINC000019216211	210231240	/nfs/dbraw/zinc/23/12/40/210231240.db2.gz	XEMZNMCKJIQTBB-KRWDZBQOSA-N	0	3	383.561	4.550	40	10		GJCBHN
COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1Cn1cccn1	ZINC000012328296	204399297	/nfs/dbraw/zinc/39/92/97/204399297.db2.gz	CPNSBUWMDRFLKC-UHFFFAOYSA-N	0	3	379.479	4.638	40	10		GJCBHN
CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1	ZINC000019366907	210244351	/nfs/dbraw/zinc/24/43/51/210244351.db2.gz	ORAVMMPYPPCELG-ZEQRLZLVSA-N	0	3	396.575	4.836	40	10		GJCBHN
COc1ccc(CNC2(c3ccccc3OC)CCCC2)cc1Cn1ccnc1	ZINC000012116976	570611740	/nfs/dbraw/zinc/61/17/40/570611740.db2.gz	UUARPIQOAGNJCR-UHFFFAOYSA-N	0	3	391.515	4.508	40	10		GJCBHN
CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1	ZINC000019366909	570980160	/nfs/dbraw/zinc/98/01/60/570980160.db2.gz	ORAVMMPYPPCELG-BJKOFHAPSA-N	0	3	396.575	4.836	40	10		GJCBHN
COc1ccc(C2(NCc3ccc(OC)c(Cn4cccn4)c3)CCCC2)cc1	ZINC000012328300	221182106	/nfs/dbraw/zinc/18/21/06/221182106.db2.gz	XYYWNNBGYCXXNU-UHFFFAOYSA-N	0	3	391.515	4.508	40	10		GJCBHN
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccncc1	ZINC000408960572	231136054	/nfs/dbraw/zinc/13/60/54/231136054.db2.gz	GXNKFXZMGYQFGM-CPNJWEJPSA-N	0	3	391.521	4.895	40	10		GJCBHN
Cc1ccc(CN(Cc2cc(C)n(-c3ncccc3C)c2C)C[C@H](C)O)s1	ZINC000019237890	207111708	/nfs/dbraw/zinc/11/17/08/207111708.db2.gz	PTZBZVXIHZIJIS-KRWDZBQOSA-N	0	3	383.561	4.550	40	10		GJCBHN
Cc1cc(Nc2c3ccccc3nc3ccccc32)ccc1NS(C)(=O)=O	ZINC000005009006	570423920	/nfs/dbraw/zinc/42/39/20/570423920.db2.gz	QFAAQNZAMAEUNY-UHFFFAOYSA-N	0	3	377.469	4.812	40	10		GJCBHN
COc1cc(Nc2c3ccccc3nc3ccccc32)ccc1NS(C)(=O)=O	ZINC000005009004	570423724	/nfs/dbraw/zinc/42/37/24/570423724.db2.gz	NWOJQTCXMQGGFT-UHFFFAOYSA-N	0	3	393.468	4.512	40	10		GJCBHN
Cc1ccc(CN(Cc2cc(C)n(-c3ncccc3C)c2C)C[C@@H](C)O)s1	ZINC000019237889	570967433	/nfs/dbraw/zinc/96/74/33/570967433.db2.gz	PTZBZVXIHZIJIS-QGZVFWFLSA-N	0	3	383.561	4.550	40	10		GJCBHN
CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN2CCN(C)CC2)c1	ZINC000019366910	570980210	/nfs/dbraw/zinc/98/02/10/570980210.db2.gz	ORAVMMPYPPCELG-DNQXCXABSA-N	0	3	396.575	4.836	40	10		GJCBHN
CC(C)c1ccc(O)c(CN2CCN(Cc3cc(C(C)C)ccc3O)CC2)c1	ZINC000019313323	570974112	/nfs/dbraw/zinc/97/41/12/570974112.db2.gz	ZYGQJJHJZJSWKN-UHFFFAOYSA-N	0	3	382.548	4.662	40	10		GJCBHN
CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1	ZINC000223357553	570461370	/nfs/dbraw/zinc/46/13/70/570461370.db2.gz	ATICIJWXSKQHQV-UHFFFAOYSA-N	0	3	393.575	4.695	40	10		GJCBHN