smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000001305213	568913521	/nfs/dbraw/zinc/91/35/21/568913521.db2.gz	FVJLNUHIIAGOKI-WBRURWICSA-N	1	3	401.513	4.163	50	30		HIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000001305211	568913519	/nfs/dbraw/zinc/91/35/19/568913519.db2.gz	FVJLNUHIIAGOKI-OJSPLJLUSA-N	1	3	401.513	4.163	50	30		HIEAHO
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccc(OC)cc12	ZINC000034064560	121241009	/nfs/dbraw/zinc/24/10/09/121241009.db2.gz	OEVKPBVITQHUKQ-YXVKNGOVSA-N	1	3	415.557	4.114	50	30		HIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001895621	569057132	/nfs/dbraw/zinc/05/71/32/569057132.db2.gz	GGVBKKUCEDNZDY-WBRURWICSA-N	1	3	401.513	4.163	50	30		HIEAHO
COc1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1OC	ZINC000002266931	569325784	/nfs/dbraw/zinc/32/57/84/569325784.db2.gz	ZIWZQSQMWSQTMF-LZAZYHHXSA-N	1	3	402.541	4.276	50	30		HIEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001895619	569057151	/nfs/dbraw/zinc/05/71/51/569057151.db2.gz	GGVBKKUCEDNZDY-OJSPLJLUSA-N	1	3	401.513	4.163	50	30		HIEAHO
C[N@@H+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508150	568634956	/nfs/dbraw/zinc/63/49/56/568634956.db2.gz	ACKKIOGMTRSRNW-SFHVURJKSA-N	1	3	404.480	4.292	50	30		HIEAHO
C[N@H+](Cc1c[nH]c(C#N)c1)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508150	568634959	/nfs/dbraw/zinc/63/49/59/568634959.db2.gz	ACKKIOGMTRSRNW-SFHVURJKSA-N	1	3	404.480	4.292	50	30		HIEAHO
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)s3)CC2)o1	ZINC000012454657	845872103	/nfs/dbraw/zinc/87/21/03/845872103.db2.gz	SNMVDMXSLWXSLG-UHFFFAOYSA-N	1	3	400.588	4.116	50	30		HIEAHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(C#CC(C)(C)O)s3)CC2)o1	ZINC000012454657	845872106	/nfs/dbraw/zinc/87/21/06/845872106.db2.gz	SNMVDMXSLWXSLG-UHFFFAOYSA-N	1	3	400.588	4.116	50	30		HIEAHO
COc1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1OC	ZINC000002266929	569325900	/nfs/dbraw/zinc/32/59/00/569325900.db2.gz	ZIWZQSQMWSQTMF-PKIWBCANSA-N	1	3	402.541	4.276	50	30		HIEAHO
C=CCn1c(SCCN2CCCCCC2)nnc1C1CC[NH+](CC(C)C)CC1	ZINC000299775790	558841584	/nfs/dbraw/zinc/84/15/84/558841584.db2.gz	KMESVKKAEWMHCO-UHFFFAOYSA-N	1	3	405.656	4.268	50	30		HIEAHO
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000012073149	568993112	/nfs/dbraw/zinc/99/31/12/568993112.db2.gz	MHVWFJXSYHQJNI-UHFFFAOYSA-N	1	3	422.588	4.335	50	30		HIEAHO
C[N@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CCN(CCc2cccc(F)c2)CC1	ZINC000012073149	568993113	/nfs/dbraw/zinc/99/31/13/568993113.db2.gz	MHVWFJXSYHQJNI-UHFFFAOYSA-N	1	3	422.588	4.335	50	30		HIEAHO
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(C#Cc4cncnc4)cc3)CC2)o1	ZINC000012591978	568995372	/nfs/dbraw/zinc/99/53/72/568995372.db2.gz	SWRNIBNRLKRRPO-UHFFFAOYSA-N	1	3	414.553	4.122	50	30		HIEAHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(C#Cc4cncnc4)cc3)CC2)o1	ZINC000012591978	568995374	/nfs/dbraw/zinc/99/53/74/568995374.db2.gz	SWRNIBNRLKRRPO-UHFFFAOYSA-N	1	3	414.553	4.122	50	30		HIEAHO
CN(Cc1c[nH]c(C#N)c1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1	ZINC000095509781	568635372	/nfs/dbraw/zinc/63/53/72/568635372.db2.gz	VDAYAGUDQWNDRY-UHFFFAOYSA-N	1	3	404.480	4.292	50	30		HIEAHO
C[N@@H+](Cc1c[nH]c(C#N)c1)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508151	568635064	/nfs/dbraw/zinc/63/50/64/568635064.db2.gz	ACKKIOGMTRSRNW-GOSISDBHSA-N	1	3	404.480	4.292	50	30		HIEAHO
C[N@H+](Cc1c[nH]c(C#N)c1)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1	ZINC000095508151	568635065	/nfs/dbraw/zinc/63/50/65/568635065.db2.gz	ACKKIOGMTRSRNW-GOSISDBHSA-N	1	3	404.480	4.292	50	30		HIEAHO