smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N[C@H](CCC#N)c2ccccc2)c2cccc(F)c2[nH+]1	ZINC000301788620	336329951	/nfs/dbraw/zinc/32/99/51/336329951.db2.gz	MVJIZSLXLWBNRN-GOSISDBHSA-N	1	2	319.383	5.139	20	30		DKEDLO
Cc1cc(N[C@@H](CCC#N)c2ccccc2)c2cccc(F)c2[nH+]1	ZINC000301788622	336329984	/nfs/dbraw/zinc/32/99/84/336329984.db2.gz	MVJIZSLXLWBNRN-SFHVURJKSA-N	1	2	319.383	5.139	20	30		DKEDLO
C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1oc(C(C)C)nc1C	ZINC000428457899	338052908	/nfs/dbraw/zinc/05/29/08/338052908.db2.gz	HLKRRHIIHBGKSU-UHFFFAOYSA-N	1	2	324.877	5.010	20	30		DKEDLO
C=CC[N@H+](Cc1ccc(Cl)s1)Cc1oc(C(C)C)nc1C	ZINC000428457899	338052907	/nfs/dbraw/zinc/05/29/07/338052907.db2.gz	HLKRRHIIHBGKSU-UHFFFAOYSA-N	1	2	324.877	5.010	20	30		DKEDLO
C=C(C)[C@H]([NH2+]Cc1ccsc1Cl)c1ccc(F)c(F)c1	ZINC000480251646	339565434	/nfs/dbraw/zinc/56/54/34/339565434.db2.gz	JITFQAFRBAAOCU-AWEZNQCLSA-N	1	2	313.800	5.087	20	30		DKEDLO
C=C(C)[C@@H]([NH2+]Cc1ccsc1Cl)c1ccc(F)c(F)c1	ZINC000480251647	339565391	/nfs/dbraw/zinc/56/53/91/339565391.db2.gz	JITFQAFRBAAOCU-CQSZACIVSA-N	1	2	313.800	5.087	20	30		DKEDLO
C=C(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(F)c(F)c1	ZINC000480703357	339584019	/nfs/dbraw/zinc/58/40/19/339584019.db2.gz	XVFSOPXIYVOHKO-ZMZPIMSZSA-N	1	2	323.333	5.211	20	30		DKEDLO
C=C(C)[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(F)c(F)c1	ZINC000481585070	339607178	/nfs/dbraw/zinc/60/71/78/339607178.db2.gz	HPQYOLIKUNWMPJ-ADLMAVQZSA-N	1	2	323.333	5.211	20	30		DKEDLO
C=C(C)[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(F)c(F)c1	ZINC000481585072	339607187	/nfs/dbraw/zinc/60/71/87/339607187.db2.gz	HPQYOLIKUNWMPJ-VOJFVSQTSA-N	1	2	323.333	5.211	20	30		DKEDLO
CCCCn1cc[nH+]c1-c1cccc(NCC(C)(C)CCC#N)c1	ZINC000532741674	336268958	/nfs/dbraw/zinc/26/89/58/336268958.db2.gz	PRAAEPRRHRDKLM-UHFFFAOYSA-N	1	2	324.472	5.092	20	30		DKEDLO
C[C@@H](Nc1cccc([NH+]2CCCCCC2)c1)c1cccc(C#N)c1	ZINC000537532602	337940931	/nfs/dbraw/zinc/94/09/31/337940931.db2.gz	APZCKEIOFIJJKH-QGZVFWFLSA-N	1	2	319.452	5.112	20	30		DKEDLO
CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000546581862	341173451	/nfs/dbraw/zinc/17/34/51/341173451.db2.gz	HGMYLILYJIQGAL-LLVKDONJSA-N	1	2	323.223	5.035	20	30		DKEDLO
CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000546581865	341173465	/nfs/dbraw/zinc/17/34/65/341173465.db2.gz	HGMYLILYJIQGAL-NSHDSACASA-N	1	2	323.223	5.035	20	30		DKEDLO
N#CCC[C@H](Nc1cc[nH+]c2c(Cl)cccc12)c1ccccc1	ZINC000553510448	341430727	/nfs/dbraw/zinc/43/07/27/341430727.db2.gz	CUAPWKJJKAENLM-KRWDZBQOSA-N	1	2	321.811	5.345	20	30		DKEDLO
C=CCC[C@@H]([NH2+]Cc1coc(-c2ccc(C)cc2)n1)c1ccco1	ZINC000560529042	332351965	/nfs/dbraw/zinc/35/19/65/332351965.db2.gz	IKTWQAGBFSMRHL-GOSISDBHSA-N	1	2	322.408	5.040	20	30		DKEDLO
C=CCC[C@H]([NH2+]Cc1coc(-c2ccc(C)cc2)n1)c1ccco1	ZINC000560529043	332352066	/nfs/dbraw/zinc/35/20/66/332352066.db2.gz	IKTWQAGBFSMRHL-SFHVURJKSA-N	1	2	322.408	5.040	20	30		DKEDLO