smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(c4cccc(C(F)(F)F)c4)CCOCC3)CC2)cc1	ZINC001461104126	1067782778	/nfs/dbraw/zinc/78/27/78/1067782778.db2.gz	BFXYHMMTJJRBJW-UHFFFAOYSA-N	2	2	457.540	4.879	20	30		JJEDLP
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@@H]21	ZINC001461668602	1067914770	/nfs/dbraw/zinc/91/47/70/1067914770.db2.gz	MRHVLMXVHDMGPV-WXFUMESZSA-N	2	2	452.643	4.536	20	30		JJEDLP
Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)cc1	ZINC001461049809	1067769592	/nfs/dbraw/zinc/76/95/92/1067769592.db2.gz	IHZIHMIJXWFABJ-UHFFFAOYSA-N	2	2	452.602	4.551	20	30		JJEDLP
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@H]21	ZINC001461668600	1067914654	/nfs/dbraw/zinc/91/46/54/1067914654.db2.gz	MRHVLMXVHDMGPV-SMIHKQSGSA-N	2	2	452.643	4.536	20	30		JJEDLP
CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459676658	1067380551	/nfs/dbraw/zinc/38/05/51/1067380551.db2.gz	XSUUCCIHRJXYCS-FQEVSTJZSA-N	2	2	451.640	4.510	20	30		JJEDLP
CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459676658	1067380561	/nfs/dbraw/zinc/38/05/61/1067380561.db2.gz	XSUUCCIHRJXYCS-FQEVSTJZSA-N	2	2	451.640	4.510	20	30		JJEDLP
CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC001461668601	1067914637	/nfs/dbraw/zinc/91/46/37/1067914637.db2.gz	MRHVLMXVHDMGPV-TZRRMPRUSA-N	2	2	452.643	4.536	20	30		JJEDLP
N#Cc1ccc(C[NH+]2CCC([NH2+]CCSc3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC001461174147	1067792731	/nfs/dbraw/zinc/79/27/31/1067792731.db2.gz	OLEFRKMCZXDVFS-UHFFFAOYSA-N	2	2	454.949	4.972	20	30		JJEDLP
N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC001461416081	1067850775	/nfs/dbraw/zinc/85/07/75/1067850775.db2.gz	WKHTUNJLHAVKBH-UHFFFAOYSA-N	2	2	452.908	4.649	20	30		JJEDLP
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C(C)(C)[C@H]21	ZINC001461668599	1067914667	/nfs/dbraw/zinc/91/46/67/1067914667.db2.gz	MRHVLMXVHDMGPV-SGNDLWITSA-N	2	2	452.643	4.536	20	30		JJEDLP
CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459676663	1067380627	/nfs/dbraw/zinc/38/06/27/1067380627.db2.gz	XSUUCCIHRJXYCS-HXUWFJFHSA-N	2	2	451.640	4.510	20	30		JJEDLP
CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459676663	1067380638	/nfs/dbraw/zinc/38/06/38/1067380638.db2.gz	XSUUCCIHRJXYCS-HXUWFJFHSA-N	2	2	451.640	4.510	20	30		JJEDLP
CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459666974	1067376599	/nfs/dbraw/zinc/37/65/99/1067376599.db2.gz	SJYOAIQZBQDMDB-UHFFFAOYSA-N	2	2	454.018	4.529	20	30		JJEDLP
CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1	ZINC001459666974	1067376609	/nfs/dbraw/zinc/37/66/09/1067376609.db2.gz	SJYOAIQZBQDMDB-UHFFFAOYSA-N	2	2	454.018	4.529	20	30		JJEDLP