smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1O	ZINC000055060501	556733197	/nfs/dbraw/zinc/73/31/97/556733197.db2.gz	MVACPMURBDJARJ-QHCPKHFHSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1O	ZINC000055060501	556733201	/nfs/dbraw/zinc/73/32/01/556733201.db2.gz	MVACPMURBDJARJ-QHCPKHFHSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1O	ZINC000055060501	556733205	/nfs/dbraw/zinc/73/32/05/556733205.db2.gz	MVACPMURBDJARJ-QHCPKHFHSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1O	ZINC000055060501	556733209	/nfs/dbraw/zinc/73/32/09/556733209.db2.gz	MVACPMURBDJARJ-QHCPKHFHSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1O	ZINC000055060502	556733085	/nfs/dbraw/zinc/73/30/85/556733085.db2.gz	MVACPMURBDJARJ-HSZRJFAPSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[N@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1O	ZINC000055060502	556733088	/nfs/dbraw/zinc/73/30/88/556733088.db2.gz	MVACPMURBDJARJ-HSZRJFAPSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1O	ZINC000055060502	556733092	/nfs/dbraw/zinc/73/30/92/556733092.db2.gz	MVACPMURBDJARJ-HSZRJFAPSA-N	2	2	437.628	5.233	50	10		IKCALP
CCOc1cccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1O	ZINC000055060502	556733097	/nfs/dbraw/zinc/73/30/97/556733097.db2.gz	MVACPMURBDJARJ-HSZRJFAPSA-N	2	2	437.628	5.233	50	10		IKCALP
Cc1c(O)c(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12	ZINC000524730677	557369128	/nfs/dbraw/zinc/36/91/28/557369128.db2.gz	SKGJXNFIFMTYGG-SQJMNOBHSA-N	2	2	446.591	5.170	50	10	biogenic	IKCALP
Cc1c(O)c(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c(-c3ccccc3)cc(=O)oc12	ZINC000524730677	557369131	/nfs/dbraw/zinc/36/91/31/557369131.db2.gz	SKGJXNFIFMTYGG-SQJMNOBHSA-N	2	2	446.591	5.170	50	10	biogenic	IKCALP