smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)C2	ZINC000299756071	570174241	/nfs/dbraw/zinc/17/42/41/570174241.db2.gz	CHYBYRCHWCPKST-IBGZPJMESA-N	2	2	483.613	2.130	50	30		JEEALP
C=C1[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000015905919	518668841	/nfs/dbraw/zinc/66/88/41/518668841.db2.gz	JDZWDNVRRQJKBZ-WMPKNSHKSA-N	2	2	458.606	2.477	50	30		JEEALP
NC(=[NH+]OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000057995483	195361322	/nfs/dbraw/zinc/36/13/22/195361322.db2.gz	KGZWGEDEAJOZNS-QFIPXVFZSA-N	2	2	476.643	2.268	50	30		JEEALP
N#Cc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)CC1	ZINC000040386575	569824361	/nfs/dbraw/zinc/82/43/61/569824361.db2.gz	WJVPAEUFFFBGBO-UHFFFAOYSA-N	2	2	469.593	2.286	50	30		JEEALP
S=C(N[NH+]=Cc1ccc(N2CCOCC2)cc1)N[NH+]=Cc1ccc(N2CCOCC2)cc1	ZINC000254792876	570106213	/nfs/dbraw/zinc/10/62/13/570106213.db2.gz	JGHPSJVADTZQOZ-UHFFFAOYSA-N	2	2	452.584	2.192	50	30		JEEALP
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)C2	ZINC000299756073	570174208	/nfs/dbraw/zinc/17/42/08/570174208.db2.gz	CHYBYRCHWCPKST-LJQANCHMSA-N	2	2	483.613	2.130	50	30		JEEALP
C=C1[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000021487214	518666536	/nfs/dbraw/zinc/66/65/36/518666536.db2.gz	JDZWDNVRRQJKBZ-CLJLJLNGSA-N	2	2	458.606	2.477	50	30		JEEALP
C=C1[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019902356	555535793	/nfs/dbraw/zinc/53/57/93/555535793.db2.gz	JDZWDNVRRQJKBZ-UIOOFZCWSA-N	2	2	458.606	2.477	50	30		JEEALP
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)c(OC)cc(=O)n3CC2)CC1	ZINC000011784438	555815824	/nfs/dbraw/zinc/81/58/24/555815824.db2.gz	IXHJBHVZWSHPOH-OAQYLSRUSA-N	2	2	454.615	2.405	50	30		JEEALP
C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)c(OC)cc(=O)n3CC2)CC1	ZINC000011784438	555815825	/nfs/dbraw/zinc/81/58/25/555815825.db2.gz	IXHJBHVZWSHPOH-OAQYLSRUSA-N	2	2	454.615	2.405	50	30		JEEALP
N#Cc1c2c(c(NCCC[NH+]3CCOCC3)nc1N1CCOCC1)C[N@@H+](Cc1ccccc1)CC2	ZINC000020791579	195225780	/nfs/dbraw/zinc/22/57/80/195225780.db2.gz	GYEIFYLNUYQPIU-UHFFFAOYSA-N	2	2	476.625	2.482	50	30		JEEALP
N#Cc1c2c(c(NCCC[NH+]3CCOCC3)nc1N1CCOCC1)C[N@H+](Cc1ccccc1)CC2	ZINC000020791579	195225784	/nfs/dbraw/zinc/22/57/84/195225784.db2.gz	GYEIFYLNUYQPIU-UHFFFAOYSA-N	2	2	476.625	2.482	50	30		JEEALP
NC(=[NH+]OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000057995474	195361305	/nfs/dbraw/zinc/36/13/05/195361305.db2.gz	KGZWGEDEAJOZNS-JOCHJYFZSA-N	2	2	476.643	2.268	50	30		JEEALP
C=CCC(O)(CC=C)C[NH2+]C1CCN(c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1	ZINC000011785939	518688803	/nfs/dbraw/zinc/68/88/03/518688803.db2.gz	HIHNUCISFINLGX-UHFFFAOYSA-N	2	2	456.631	2.190	50	30		JEEALP
S=C(N/[NH+]=C/c1ccc(N2CCOCC2)cc1)N/[NH+]=C/c1ccc(N2CCOCC2)cc1	ZINC000001080651	553905645	/nfs/dbraw/zinc/90/56/45/553905645.db2.gz	JGHPSJVADTZQOZ-WZGDJCGDSA-N	2	2	452.584	2.192	50	30		JEEALP
C=CCOc1ccccc1C[N@@H+]1CCc2c(C(=O)NCCCn3cc[nH+]c3)c(OC)cc(=O)n2CC1	ZINC000019227403	556336100	/nfs/dbraw/zinc/33/61/00/556336100.db2.gz	KCNRDCCLNJIKCS-UHFFFAOYSA-N	2	2	491.592	2.497	50	30		JEEALP
C=CCOc1ccccc1C[N@H+]1CCc2c(C(=O)NCCCn3cc[nH+]c3)c(OC)cc(=O)n2CC1	ZINC000019227403	556336102	/nfs/dbraw/zinc/33/61/02/556336102.db2.gz	KCNRDCCLNJIKCS-UHFFFAOYSA-N	2	2	491.592	2.497	50	30		JEEALP