smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4c(c3C#N)CCC[NH2+]C4)CC2)C1	ZINC001164872284	721260463	/nfs/dbraw/zinc/26/04/63/721260463.db2.gz	CUMZYDVWOSIWOS-UHFFFAOYSA-N	2	0	426.565	0.996	20	30		ICEDRP
N#C[C@]12CN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C[C@H]1CS(=O)(=O)C2	ZINC001477659752	1069938573	/nfs/dbraw/zinc/93/85/73/1069938573.db2.gz	BIZWTZAPNBQWQJ-FXAWDEMLSA-N	2	0	432.550	0.173	20	30		ICEDRP
C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC001557930776	1073100558	/nfs/dbraw/zinc/10/05/58/1073100558.db2.gz	OXHIGCRFBZGDAO-BRWVUGGUSA-N	2	0	435.594	0.702	20	30		ICEDRP
C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21	ZINC001557930777	1073100489	/nfs/dbraw/zinc/10/04/89/1073100489.db2.gz	OXHIGCRFBZGDAO-GVDBMIGSSA-N	2	0	435.594	0.702	20	30		ICEDRP
CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)CC1	ZINC001559919784	1073256440	/nfs/dbraw/zinc/25/64/40/1073256440.db2.gz	RFALVYDSPGLXPM-UHFFFAOYSA-N	2	0	443.596	0.995	20	30		ICEDRP
C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC001588128784	1072320354	/nfs/dbraw/zinc/32/03/54/1072320354.db2.gz	SLYZTMFOURGMSK-NRFANRHFSA-N	2	0	446.559	0.909	20	30		ICEDRP
C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC001588128785	1072320207	/nfs/dbraw/zinc/32/02/07/1072320207.db2.gz	SLYZTMFOURGMSK-OAQYLSRUSA-N	2	0	446.559	0.909	20	30		ICEDRP