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	527194874	/nfs/dbraw/zinc/19/48/74/527194874.db2.gz	NBMWNOUPZWEHJK-KRWDZBQOSA-O	2	0	405.906	2.082	50	30		HEEARP
C=CCC(O)(CC=C)C[NH2+]Cc1cccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020321461	569018818	/nfs/dbraw/zinc/01/88/18/569018818.db2.gz	ZLSDRWYOSMCTET-JOCHJYFZSA-N	2	0	417.594	2.037	50	30		HEEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000022851322	518599151	/nfs/dbraw/zinc/59/91/51/518599151.db2.gz	CIRFEPWRPJULKD-OAQYLSRUSA-N	2	0	405.583	2.470	50	30		HEEARP
O=C(CN1CC(=O)[O+]=N1)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1	ZINC000023129106	527193786	/nfs/dbraw/zinc/19/37/86/527193786.db2.gz	NBMWNOUPZWEHJK-QGZVFWFLSA-O	2	0	405.906	2.082	50	30		HEEARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1	ZINC000095501528	559082409	/nfs/dbraw/zinc/08/24/09/559082409.db2.gz	DBCMFBQSJWQPAA-NRFANRHFSA-N	2	0	400.567	2.189	50	30		HEEARP
C=CCC(O)(CC=C)C[NH2+]Cc1cccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c1	ZINC000020321467	569018840	/nfs/dbraw/zinc/01/88/40/569018840.db2.gz	ZLSDRWYOSMCTET-QFIPXVFZSA-N	2	0	417.594	2.037	50	30		HEEARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)CC1	ZINC000104558511	569009001	/nfs/dbraw/zinc/00/90/01/569009001.db2.gz	FDMFCCQJSIZOSB-RUZDIDTESA-N	2	0	413.606	2.162	50	30		HEEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1	ZINC000022851320	518600056	/nfs/dbraw/zinc/60/00/56/518600056.db2.gz	CIRFEPWRPJULKD-NRFANRHFSA-N	2	0	405.583	2.470	50	30		HEEARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1	ZINC000095501529	559082402	/nfs/dbraw/zinc/08/24/02/559082402.db2.gz	DBCMFBQSJWQPAA-OAQYLSRUSA-N	2	0	400.567	2.189	50	30		HEEARP
C=CC[N+]1(CC#Cc2ccc(C#CC[N+]3(CC=C)CCOCC3)cc2)CCOCC1	ZINC000000820794	568498322	/nfs/dbraw/zinc/49/83/22/568498322.db2.gz	VHYDSUUQTRUTIM-UHFFFAOYSA-N	2	0	406.570	2.456	50	30		HEEARP
C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000095946060	568663878	/nfs/dbraw/zinc/66/38/78/568663878.db2.gz	ZAQZLDZANHNLAD-UHFFFAOYSA-N	2	0	418.485	2.224	50	30		HEEARP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)CC1	ZINC000020877878	519670318	/nfs/dbraw/zinc/67/03/18/519670318.db2.gz	FDMFCCQJSIZOSB-VWLOTQADSA-N	2	0	413.606	2.162	50	30		HEEARP
C[NH+](CCNC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000225618268	568776580	/nfs/dbraw/zinc/77/65/80/568776580.db2.gz	PUNTXXMARUSGJT-UHFFFAOYSA-N	2	0	404.518	2.293	50	30		HEEARP