smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2cc(Cl)c(C)cc21	ZINC000001555461	563391783	/nfs/dbraw/zinc/39/17/83/563391783.db2.gz	VVPGOCHOGLCENW-INIZCTEOSA-N	2	0	347.934	5.427	40	0		EKABRP
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000001577157	563393562	/nfs/dbraw/zinc/39/35/62/563393562.db2.gz	AFEAUYYSRPFHIA-HNNXBMFYSA-N	2	0	333.907	5.119	40	0		EKABRP
C[C@H](CC[C@@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1	ZINC000001666354	563400986	/nfs/dbraw/zinc/40/09/86/563400986.db2.gz	LLSXNKYYYBNQPM-WOJBJXKFSA-N	2	0	342.486	5.170	40	0		EKABRP
C[C@@H](CC[C@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1	ZINC000001666355	563401058	/nfs/dbraw/zinc/40/10/58/563401058.db2.gz	LLSXNKYYYBNQPM-PMACEKPBSA-N	2	0	342.486	5.170	40	0		EKABRP
Cc1c[nH+]c2cc(Cl)ccc2c1NCC[NH+](CC(C)C)CC(C)C	ZINC000001712668	563406452	/nfs/dbraw/zinc/40/64/52/563406452.db2.gz	RGLMFCRDXLXIBE-UHFFFAOYSA-N	2	0	347.934	5.223	40	0		EKABRP
CC[NH+](CC)CCC[C@H](C)Nc1c(C)c[nH+]c2cc(C)c(C)cc21	ZINC000001729646	563407868	/nfs/dbraw/zinc/40/78/68/563407868.db2.gz	MJXLLGCODJAHOJ-SFHVURJKSA-N	2	0	327.516	5.082	40	0		EKABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000001848642	564130221	/nfs/dbraw/zinc/13/02/21/564130221.db2.gz	AFEAUYYSRPFHIA-OAHLLOKOSA-N	2	0	333.907	5.119	40	0		EKABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2cc(C)c(C)cc21	ZINC000002044404	563419482	/nfs/dbraw/zinc/41/94/82/563419482.db2.gz	MJXLLGCODJAHOJ-GOSISDBHSA-N	2	0	327.516	5.082	40	0		EKABRP
CC(C)(C)[PH+](CCC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C	ZINC000002572419	563442550	/nfs/dbraw/zinc/44/25/50/563442550.db2.gz	FJILYPCZXWVDMD-UHFFFAOYSA-N	2	0	332.493	7.534	40	0		EKABRP
CC(C)(C)[PH+](CCCC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C	ZINC000002572423	563442589	/nfs/dbraw/zinc/44/25/89/563442589.db2.gz	UIYGJYHQLCCIQS-UHFFFAOYSA-N	2	0	346.520	7.924	40	0		EKABRP
CCC[NH+](CCC)CCCCCCCCCCC[NH+]1CCCCC1	ZINC000004428722	563503017	/nfs/dbraw/zinc/50/30/17/563503017.db2.gz	LOVUMCNLWQIQQH-UHFFFAOYSA-N	2	0	338.624	6.105	40	0		EKABRP
CC[NH+](CC)CCCCCC[N@H+](CC)Cc1cc2ccccc2o1	ZINC000004713686	210256861	/nfs/dbraw/zinc/25/68/61/210256861.db2.gz	PCUJZPANFXVLDW-UHFFFAOYSA-N	2	0	330.516	5.157	40	0		EKABRP
CCCC[NH+](CCCC)CCCCCC[NH+](CCCC)CCCC	ZINC000004975912	210346595	/nfs/dbraw/zinc/34/65/95/210346595.db2.gz	UPPIBFVZIFKMFO-UHFFFAOYSA-N	2	0	340.640	6.351	40	0		EKABRP
CC[NH+](CC)CCC[C@@H](C)Nc1c(C)c[nH+]c2cc(Cl)c(C)cc21	ZINC000008614582	563633251	/nfs/dbraw/zinc/63/32/51/563633251.db2.gz	VVPGOCHOGLCENW-MRXNPFEDSA-N	2	0	347.934	5.427	40	0		EKABRP
C[C@H](CC[C@H](C)[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1	ZINC000017290154	211962400	/nfs/dbraw/zinc/96/24/00/211962400.db2.gz	LLSXNKYYYBNQPM-BGYRXZFFSA-N	2	0	342.486	5.170	40	0		EKABRP
CCCC[NH+](CCCC)CCNc1cc[nH+]c2cccc(Cl)c12	ZINC000263615950	564132620	/nfs/dbraw/zinc/13/26/20/564132620.db2.gz	GFBDETZVKYCUTH-UHFFFAOYSA-N	2	0	333.907	5.202	40	0		EKABRP