smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1cccc(C)c1	ZINC000036471726	205018300	/nfs/dbraw/zinc/01/83/00/205018300.db2.gz	PSLILFTYKWTUAD-UHFFFAOYSA-N	1	1	377.507	4.648	1	10		GJCFMO
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1C	ZINC000036471727	205017741	/nfs/dbraw/zinc/01/77/41/205017741.db2.gz	NAVRSZCBODQZNP-UHFFFAOYSA-N	1	1	377.507	4.648	1	10		GJCFMO
CCCC[N@H+]1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000039097853	205040857	/nfs/dbraw/zinc/04/08/57/205040857.db2.gz	XLVUNDMFFLQJMP-UHFFFAOYSA-N	1	1	381.472	4.580	1	10	in-vivo	GJCFMO
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1	ZINC000036472078	205017522	/nfs/dbraw/zinc/01/75/22/205017522.db2.gz	MZKAJYIDFRLFQT-UHFFFAOYSA-N	1	1	399.460	4.617	1	10		GJCFMO
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1F	ZINC000036472195	205017676	/nfs/dbraw/zinc/01/76/76/205017676.db2.gz	HEAOLCXKHKOCGX-UHFFFAOYSA-N	1	1	399.460	4.617	1	10		GJCFMO
Cc1c(C[NH+]2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000022035236	209238408	/nfs/dbraw/zinc/23/84/08/209238408.db2.gz	SOLADHUNVIQDNM-UHFFFAOYSA-N	1	1	379.935	4.854	1	10		GJCFMO
COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000012315001	207288152	/nfs/dbraw/zinc/28/81/52/207288152.db2.gz	TYWFLGNJKJLSCT-HNNXBMFYSA-N	1	1	393.405	4.515	3	10		GJCFMO
COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000012315000	221180061	/nfs/dbraw/zinc/18/00/61/221180061.db2.gz	TYWFLGNJKJLSCT-OAHLLOKOSA-N	1	1	393.405	4.515	3	10		GJCFMO
COc1ccc2c(c1)[C@]1(Cc3ccccc3)CC[N@@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000058522966	222054869	/nfs/dbraw/zinc/05/48/69/222054869.db2.gz	DPNSCHBYEBLOPZ-CLJLJLNGSA-N	1	1	384.523	4.858	1	10		GJCFMO
COc1ccc2c(c1)[C@]1(Cc3ccccc3)CC[N@H+](C)[C@@H]1N2Cc1ccccc1	ZINC000058522966	222054872	/nfs/dbraw/zinc/05/48/72/222054872.db2.gz	DPNSCHBYEBLOPZ-CLJLJLNGSA-N	1	1	384.523	4.858	1	10		GJCFMO
O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCCC[N+]3([O-])CCCCC3)c21	ZINC000005956283	717102877	/nfs/dbraw/zinc/10/28/77/717102877.db2.gz	MNOFJJRPIHDPDC-UHFFFAOYSA-N	1	1	380.448	4.597	1	10		GJCFMO
Cc1cccc([C@H]2C[N@@H+](Cc3ccco3)CCc3c(Cl)c(O)c(O)cc32)c1	ZINC000027183056	207323642	/nfs/dbraw/zinc/32/36/42/207323642.db2.gz	XZANZNDOULWJRM-LJQANCHMSA-N	1	1	383.875	4.843	1	10		GJCFMO
c1ccc2sc(-c3ccc(N4CC[NH+](Cc5cccnc5)CC4)cc3)nc2c1	ZINC000095588167	136182353	/nfs/dbraw/zinc/18/23/53/136182353.db2.gz	DYVCTIXHVVAAMZ-UHFFFAOYSA-N	1	1	386.524	4.681	1	10		GJCFMO