smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966393	555872178	/nfs/dbraw/zinc/87/21/78/555872178.db2.gz	HZGNRSOVTPSLMD-MUUNZHRXSA-N	1	3	464.629	4.832	10	0		JJAEHO
COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966393	555872182	/nfs/dbraw/zinc/87/21/82/555872182.db2.gz	HZGNRSOVTPSLMD-MUUNZHRXSA-N	1	3	464.629	4.832	10	0		JJAEHO
COc1ccc(CN2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966397	555872138	/nfs/dbraw/zinc/87/21/38/555872138.db2.gz	HZGNRSOVTPSLMD-NDEPHWFRSA-N	1	3	464.629	4.832	10	0		JJAEHO
COc1ccc(CN2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1	ZINC000011966397	555872141	/nfs/dbraw/zinc/87/21/41/555872141.db2.gz	HZGNRSOVTPSLMD-NDEPHWFRSA-N	1	3	464.629	4.832	10	0		JJAEHO
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@@H]1C[C@H](N1CCCCC1)C2=O	ZINC000096332025	130071513	/nfs/dbraw/zinc/07/15/13/130071513.db2.gz	KUCISTFXMDQUHG-BJVUPQECSA-N	1	3	456.715	4.888	10	0		JJAEHO
COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996329	524024662	/nfs/dbraw/zinc/02/46/62/524024662.db2.gz	JIMSZZJNHBAQPW-AREMUKBSSA-N	1	3	480.628	4.537	10	0		JJAEHO
COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996329	524024664	/nfs/dbraw/zinc/02/46/64/524024664.db2.gz	JIMSZZJNHBAQPW-AREMUKBSSA-N	1	3	480.628	4.537	10	0		JJAEHO
COc1cccc(C[C@@H](C2CCN(Cc3ccc4c(c3)OCO4)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000014881571	526072602	/nfs/dbraw/zinc/07/26/02/526072602.db2.gz	OMAXTDUIRYVEJH-MHZLTWQESA-N	1	3	473.617	4.774	10	0		JJAEHO
COc1cccc(C[C@@H](C2CCN(Cc3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000014881571	526072611	/nfs/dbraw/zinc/07/26/11/526072611.db2.gz	OMAXTDUIRYVEJH-MHZLTWQESA-N	1	3	473.617	4.774	10	0		JJAEHO
COc1ccc(CN2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996331	524024754	/nfs/dbraw/zinc/02/47/54/524024754.db2.gz	JIMSZZJNHBAQPW-SANMLTNESA-N	1	3	480.628	4.537	10	0		JJAEHO
COc1ccc(CN2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1O	ZINC000014996331	524024758	/nfs/dbraw/zinc/02/47/58/524024758.db2.gz	JIMSZZJNHBAQPW-SANMLTNESA-N	1	3	480.628	4.537	10	0		JJAEHO
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21	ZINC000004213094	194384814	/nfs/dbraw/zinc/38/48/14/194384814.db2.gz	AUVVAXYIELKVAI-YMLRZMTOSA-N	1	3	480.649	4.943	10	0	in-vitro	JJAEHO
CCC[C@H](N[C@@H]1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1	ZINC000035985259	563121726	/nfs/dbraw/zinc/12/17/26/563121726.db2.gz	DHKAZVAQQFUSEE-PKTZIBPZSA-N	1	3	472.077	4.622	10	0		JJAEHO
Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1	ZINC000014882076	527691480	/nfs/dbraw/zinc/69/14/80/527691480.db2.gz	VYAOJBLUJVCPML-MHZLTWQESA-N	1	3	452.593	4.962	10	0		JJAEHO
Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1	ZINC000014882076	527691483	/nfs/dbraw/zinc/69/14/83/527691483.db2.gz	VYAOJBLUJVCPML-MHZLTWQESA-N	1	3	452.593	4.962	10	0		JJAEHO
Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1	ZINC000014882077	527692077	/nfs/dbraw/zinc/69/20/77/527692077.db2.gz	VYAOJBLUJVCPML-HHHXNRCGSA-N	1	3	452.593	4.962	10	0		JJAEHO
Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1	ZINC000014882077	527692078	/nfs/dbraw/zinc/69/20/78/527692078.db2.gz	VYAOJBLUJVCPML-HHHXNRCGSA-N	1	3	452.593	4.962	10	0		JJAEHO
COc1cccc(C[C@H](C2CCN(Cc3ccc4c(c3)OCO4)CC2)[N@H+](C)Cc2ccncc2)c1	ZINC000014881572	526078098	/nfs/dbraw/zinc/07/80/98/526078098.db2.gz	OMAXTDUIRYVEJH-HHHXNRCGSA-N	1	3	473.617	4.774	10	0		JJAEHO
COc1cccc(C[C@H](C2CCN(Cc3ccc4c(c3)OCO4)CC2)[N@@H+](C)Cc2ccncc2)c1	ZINC000014881572	526078116	/nfs/dbraw/zinc/07/81/16/526078116.db2.gz	OMAXTDUIRYVEJH-HHHXNRCGSA-N	1	3	473.617	4.774	10	0		JJAEHO
CCC[C@H](N[C@H]1CCc2cc(Cl)ccc2C1)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1	ZINC000035985261	563121682	/nfs/dbraw/zinc/12/16/82/563121682.db2.gz	DHKAZVAQQFUSEE-GOTSBHOMSA-N	1	3	472.077	4.622	10	0		JJAEHO