smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CC(=O)[O+]=N1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1	ZINC000023129107	527194881	/nfs/dbraw/zinc/19/48/81/527194881.db2.gz	NBMWNOUPZWEHJK-KRWDZBQOSA-O	2	1	405.906	2.082	50	30		HEEAMP
C=CCC(O)(CC=C)C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCN(CC)CC2)c1	ZINC000020321461	569018820	/nfs/dbraw/zinc/01/88/20/569018820.db2.gz	ZLSDRWYOSMCTET-JOCHJYFZSA-N	2	1	417.594	2.037	50	30		HEEAMP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000022851322	518599176	/nfs/dbraw/zinc/59/91/76/518599176.db2.gz	CIRFEPWRPJULKD-OAQYLSRUSA-N	2	1	405.583	2.470	50	30		HEEAMP
O=C(CN1CC(=O)[O+]=N1)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1	ZINC000023129106	527193794	/nfs/dbraw/zinc/19/37/94/527193794.db2.gz	NBMWNOUPZWEHJK-QGZVFWFLSA-O	2	1	405.906	2.082	50	30		HEEAMP
C=CCC(O)(CC=C)C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c1	ZINC000020321467	569018842	/nfs/dbraw/zinc/01/88/42/569018842.db2.gz	ZLSDRWYOSMCTET-QFIPXVFZSA-N	2	1	417.594	2.037	50	30		HEEAMP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000022851320	518600065	/nfs/dbraw/zinc/60/00/65/518600065.db2.gz	CIRFEPWRPJULKD-NRFANRHFSA-N	2	1	405.583	2.470	50	30		HEEAMP
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)CC1	ZINC000020877878	519670320	/nfs/dbraw/zinc/67/03/20/519670320.db2.gz	FDMFCCQJSIZOSB-VWLOTQADSA-N	2	1	413.606	2.162	50	30		HEEAMP
C[NH+](CCNC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000225618268	568776583	/nfs/dbraw/zinc/77/65/83/568776583.db2.gz	PUNTXXMARUSGJT-UHFFFAOYSA-N	2	1	404.518	2.293	50	30		HEEAMP