smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1	ZINC000095460391	567915636	/nfs/dbraw/zinc/91/56/36/567915636.db2.gz	RRBABYHXSBPLKG-KXBFYZLASA-N	2	2	284.447	3.550	50	30		CHEALP
C=CC[N@@H+](CCc1ccccc1)Cc1cc(NCC)cc[nH+]1	ZINC000089977929	567033717	/nfs/dbraw/zinc/03/37/17/567033717.db2.gz	SEOSCQYAGLSKLA-UHFFFAOYSA-N	2	2	295.430	3.744	50	30		CHEALP
C=CC[N@H+](CCc1ccccc1)Cc1cc(NCC)cc[nH+]1	ZINC000089977929	567033720	/nfs/dbraw/zinc/03/37/20/567033720.db2.gz	SEOSCQYAGLSKLA-UHFFFAOYSA-N	2	2	295.430	3.744	50	30		CHEALP
C[NH+](C)CC1C=C(C=[NH+]C2CCCCC2)C(=S)S1	ZINC000012413941	570316989	/nfs/dbraw/zinc/31/69/89/570316989.db2.gz	UUSIWKFMQNUKKP-OQLLNIDSSA-N	2	2	282.478	3.850	50	30		CHEALP
CCC[N@H+](CC#Cc1ccccc1)Cc1[nH]c(CC)[nH+]c1C	ZINC000055413418	566869499	/nfs/dbraw/zinc/86/94/99/566869499.db2.gz	WMRUPTXJWCTDFU-UHFFFAOYSA-N	2	2	295.430	3.544	50	30		CHEALP
CCC[N@@H+](CC#Cc1ccccc1)Cc1[nH]c(CC)[nH+]c1C	ZINC000055413418	566869505	/nfs/dbraw/zinc/86/95/05/566869505.db2.gz	WMRUPTXJWCTDFU-UHFFFAOYSA-N	2	2	295.430	3.544	50	30		CHEALP
C=CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1	ZINC000095460389	567915565	/nfs/dbraw/zinc/91/55/65/567915565.db2.gz	RRBABYHXSBPLKG-HNAYVOBHSA-N	2	2	284.447	3.550	50	30		CHEALP
CCCCCCCCCCCC[NH+](CCC[NH3+])CCC[NH3+]	ZINC000095803226	185027750	/nfs/dbraw/zinc/02/77/50/185027750.db2.gz	NYNKJVPRTLBJNQ-UHFFFAOYSA-N	3	2	299.547	3.907	50	30		CHEALP
C=CC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1	ZINC000095460388	567915630	/nfs/dbraw/zinc/91/56/30/567915630.db2.gz	RRBABYHXSBPLKG-DNVCBOLYSA-N	2	2	284.447	3.550	50	30		CHEALP
C=CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1	ZINC000095460390	567915679	/nfs/dbraw/zinc/91/56/79/567915679.db2.gz	RRBABYHXSBPLKG-BEFAXECRSA-N	2	2	284.447	3.550	50	30		CHEALP
CC(C)c1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1	ZINC000013636329	1120170790	/nfs/dbraw/zinc/17/07/90/1120170790.db2.gz	WMFATYUZVIJFRF-UHFFFAOYSA-N	2	2	263.344	3.607	50	30		CHEALP
C=C(C)C[N@@H+](CC)C1CC[NH+](Cc2ccccc2)CC1	ZINC000000183348	567924718	/nfs/dbraw/zinc/92/47/18/567924718.db2.gz	QWWKHAYZNXMHCK-UHFFFAOYSA-N	2	2	272.436	3.549	50	30		CHEALP
C=C(C)C[N@H+](CC)C1CC[NH+](Cc2ccccc2)CC1	ZINC000000183348	567924720	/nfs/dbraw/zinc/92/47/20/567924720.db2.gz	QWWKHAYZNXMHCK-UHFFFAOYSA-N	2	2	272.436	3.549	50	30		CHEALP