smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1	ZINC000012022615	569303590	/nfs/dbraw/zinc/30/35/90/569303590.db2.gz	DQUBQKIXZQCJPO-UHFFFAOYSA-N	2	0	439.043	4.849	50	30		IJEARP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000019229501	569316517	/nfs/dbraw/zinc/31/65/17/569316517.db2.gz	JNAIEDNSUZGXDU-NRFANRHFSA-N	2	0	438.641	4.609	50	30		IJEARP
CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000055225997	521295981	/nfs/dbraw/zinc/29/59/81/521295981.db2.gz	DXRBVRPPHGJWOP-HHHXNRCGSA-N	2	0	448.651	4.594	50	30		IJEARP
ON=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2ccc(OCC[NH+]3CCCCC3)cc21	ZINC000001500287	562922396	/nfs/dbraw/zinc/92/23/96/562922396.db2.gz	DFKUDGSHKQMFLA-UHFFFAOYSA-N	2	0	449.595	4.623	50	30		IJEARP
CCN(CC)c1ccc(/C=[NH+]/N(C)CCN(C)/[NH+]=C/c2ccc(N(CC)CC)cc2)cc1	ZINC000004676365	556872798	/nfs/dbraw/zinc/87/27/98/556872798.db2.gz	HHQKHCBLIXHWBX-GPAWKIAZSA-N	2	0	436.648	4.611	50	30		IJEARP
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000019229499	569316472	/nfs/dbraw/zinc/31/64/72/569316472.db2.gz	JNAIEDNSUZGXDU-OAQYLSRUSA-N	2	0	438.641	4.609	50	30		IJEARP
CC[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012717675	521294898	/nfs/dbraw/zinc/29/48/98/521294898.db2.gz	WWTMASXTWYWXJQ-UHFFFAOYSA-N	2	0	438.681	4.956	50	30		IJEARP
CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000055225993	521296659	/nfs/dbraw/zinc/29/66/59/521296659.db2.gz	DXRBVRPPHGJWOP-MHZLTWQESA-N	2	0	448.651	4.594	50	30		IJEARP
CCCOc1cc(OCCC)c(C#CC[NH+]2CCCCC2)cc1C#CC[NH+]1CCCCC1	ZINC000002896317	556149503	/nfs/dbraw/zinc/14/95/03/556149503.db2.gz	CSSVNXGJNGGIQG-UHFFFAOYSA-N	2	0	436.640	4.939	50	30		IJEARP
CCCCCCC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)CCCCCC	ZINC000004566299	556001406	/nfs/dbraw/zinc/00/14/06/556001406.db2.gz	FQRKJFRHXMBQDC-UHFFFAOYSA-N	2	0	430.743	4.951	50	30		IJEARP