smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000020503941	291117552	/nfs/dbraw/zinc/11/75/52/291117552.db2.gz	YFPKXEWXEDDTGO-JENIJYKNSA-N	2	2	386.565	2.805	40	30	biogenic,in-vitro	GFEBLP
C#CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000020503941	291117553	/nfs/dbraw/zinc/11/75/53/291117553.db2.gz	YFPKXEWXEDDTGO-JENIJYKNSA-N	2	2	386.565	2.805	40	30	biogenic,in-vitro	GFEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000020503941	291117554	/nfs/dbraw/zinc/11/75/54/291117554.db2.gz	YFPKXEWXEDDTGO-JENIJYKNSA-N	2	2	386.565	2.805	40	30	biogenic,in-vitro	GFEBLP
c1ccc(/[NH+]=C(\N(CC[NH+]2CCOCC2)c2ccccc2)N2CCOCC2)cc1	ZINC000005581921	570447448	/nfs/dbraw/zinc/44/74/48/570447448.db2.gz	ZITQYWFRUCJWCD-VHXPQNKSSA-N	2	2	394.519	2.845	40	30		GFEBLP
CNC(=[NH2+])NN=C(C)c1ccc2oc3ccc(C(C)=NNC(=[NH2+])NC)cc3c2c1	ZINC000017125798	524038383	/nfs/dbraw/zinc/03/83/83/524038383.db2.gz	GDRFOQDJRLEMDH-RSKRUZOQSA-N	2	2	392.467	2.522	40	30		GFEBLP
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCCCC2)c1	ZINC000067870763	291122949	/nfs/dbraw/zinc/12/29/49/291122949.db2.gz	KSKUCSRLWPTKOJ-IRFCIJBXSA-N	2	2	381.524	2.876	40	30	biogenic,in-vitro	GFEBLP
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCCCC2)c1	ZINC000067870763	291122952	/nfs/dbraw/zinc/12/29/52/291122952.db2.gz	KSKUCSRLWPTKOJ-IRFCIJBXSA-N	2	2	381.524	2.876	40	30	biogenic,in-vitro	GFEBLP
c1ccc(/[NH+]=C(/N(CC[NH+]2CCOCC2)c2ccccc2)N2CCOCC2)cc1	ZINC000016958694	570935694	/nfs/dbraw/zinc/93/56/94/570935694.db2.gz	ZITQYWFRUCJWCD-WCWDXBQESA-N	2	2	394.519	2.845	40	30		GFEBLP
C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccc(C#N)c3)c4=O)C2)CC1	ZINC000020503312	291120562	/nfs/dbraw/zinc/12/05/62/291120562.db2.gz	VAXLPEWHHDJBSE-AZUAARDMSA-N	2	2	388.515	2.900	40	30	biogenic,in-vitro	GFEBLP
C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccc(C#N)c3)c4=O)C2)CC1	ZINC000020503312	291120563	/nfs/dbraw/zinc/12/05/63/291120563.db2.gz	VAXLPEWHHDJBSE-AZUAARDMSA-N	2	2	388.515	2.900	40	30	biogenic,in-vitro	GFEBLP
CNC(=[NH2+])NN=C(C)c1ccc2oc3ccc(C(C)=NNC(=[NH2+])NC)cc3c2c1	ZINC000017125796	524038835	/nfs/dbraw/zinc/03/88/35/524038835.db2.gz	GDRFOQDJRLEMDH-UIXGLJBASA-N	2	2	392.467	2.522	40	30		GFEBLP