smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)CC1	ZINC000020776465	519670125	/nfs/dbraw/zinc/67/01/25/519670125.db2.gz	CYWFRRRHQIWAKA-VWLOTQADSA-N	2	0	427.633	2.550	50	30		IFEARP
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)(CC1)CC2)c1ccccc1	ZINC000003295242	569444657	/nfs/dbraw/zinc/44/46/57/569444657.db2.gz	FHIIOPFEBJYGSW-GVYIAWKKSA-N	2	0	442.648	2.593	50	30		IFEARP
C(#CCN1CC[NH+](CCc2ccccc2)CC1)CN1CC[NH+](CCc2ccccc2)CC1	ZINC000170607363	569144205	/nfs/dbraw/zinc/14/42/05/569144205.db2.gz	VSBNANZKFPZGFK-UHFFFAOYSA-N	2	0	430.640	2.710	50	30		IFEARP
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)(CC1)CC2)c1ccccc1	ZINC000003295243	568745350	/nfs/dbraw/zinc/74/53/50/568745350.db2.gz	FHIIOPFEBJYGSW-MLBYEREBSA-N	2	0	442.648	2.593	50	30		IFEARP
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)N3C[C@H](C)C[C@H](C)C3)(CC1)CC2)c1ccccc1	ZINC000013129811	519561138	/nfs/dbraw/zinc/56/11/38/519561138.db2.gz	FHIIOPFEBJYGSW-KUKIJGICSA-N	2	0	442.648	2.593	50	30		IFEARP
C#CC[N@@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1	ZINC000055211654	518257306	/nfs/dbraw/zinc/25/73/06/518257306.db2.gz	LRRMNWZJTPEIEC-HSZRJFAPSA-N	2	0	430.589	2.660	50	30		IFEARP
Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CN2CC(=O)[O+]=N2)C2CCCC2)CC1	ZINC000019759160	556902941	/nfs/dbraw/zinc/90/29/41/556902941.db2.gz	XBSXKASYEVORID-UHFFFAOYSA-O	2	0	427.569	2.702	50	30		IFEARP
C#CC[N@@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)C1CCCCC1	ZINC000055211655	518258903	/nfs/dbraw/zinc/25/89/03/518258903.db2.gz	LRRMNWZJTPEIEC-QHCPKHFHSA-N	2	0	430.589	2.660	50	30		IFEARP