smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](C)C[NH+](C)C)c3nc12	ZINC000003993858	204022580	/nfs/dbraw/zinc/02/25/80/204022580.db2.gz	ACAXGYADTLFREX-CQSZACIVSA-N	1	0	388.471	3.625	1	10		GHCFRO
Oc1ccc2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCC(O)CC1	ZINC000072178642	205317894	/nfs/dbraw/zinc/31/78/94/205317894.db2.gz	OTBUSLVAMDYVGD-HSZRJFAPSA-N	1	0	377.440	3.820	1	10		GHCFRO
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCNc1c2ccccc2[nH+]c2ccccc21	ZINC000040587762	205067515	/nfs/dbraw/zinc/06/75/15/205067515.db2.gz	NMXILYPHEODMRP-RWFYYTQISA-N	1	0	383.451	3.607	1	10		GHCFRO
O=C(Nc1ccccc1)c1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000006096834	204165941	/nfs/dbraw/zinc/16/59/41/204165941.db2.gz	WFYDBDOXSCEPSH-UHFFFAOYSA-N	1	0	379.504	3.836	1	10		GHCFRO
CCOc1cccc2c1ccc1nc3cccc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000027856852	207331618	/nfs/dbraw/zinc/33/16/18/207331618.db2.gz	ZJUVFEFUJHQCGY-UHFFFAOYSA-N	1	0	388.471	3.626	1	10		GHCFRO
CC(C)Cn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@H+](C)[C@@H]1C2	ZINC000040374023	207594848	/nfs/dbraw/zinc/59/48/48/207594848.db2.gz	NRMCOBVLHDZQFD-SQWYXISYSA-N	1	0	398.547	3.570	1	10		GHCFRO
COc1cccc2c1ccc1nc3c(C)ccc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000027762906	207331091	/nfs/dbraw/zinc/33/10/91/207331091.db2.gz	NWBJUOIOERGURY-UHFFFAOYSA-N	1	0	388.471	3.545	1	10		GHCFRO
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](C)[NH+](C)C)c3nc12	ZINC000027852552	207331433	/nfs/dbraw/zinc/33/14/33/207331433.db2.gz	GVEYKYRTFVKZLF-AWEZNQCLSA-N	1	0	388.471	3.625	1	10		GHCFRO
CC(C)Cn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@H+](C)[C@@H]1C2	ZINC000040374027	207594387	/nfs/dbraw/zinc/59/43/87/207594387.db2.gz	NRMCOBVLHDZQFD-BKHVUNAHSA-N	1	0	398.547	3.570	1	10		GHCFRO
CCCOC(=O)CCCc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000029556615	207365158	/nfs/dbraw/zinc/36/51/58/207365158.db2.gz	JJZFAAXSNGKISE-UHFFFAOYSA-N	1	0	388.552	3.860	1	10		GHCFRO
C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc21	ZINC000005138857	206594281	/nfs/dbraw/zinc/59/42/81/206594281.db2.gz	BLVAYZBIMMYHDJ-UHFFFAOYSA-O	1	0	378.477	3.933	1	10		GHCFRO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](c3nnnn3C3CCCCC3)C[N@H+](C)[C@@H]1C2	ZINC000027722784	207329765	/nfs/dbraw/zinc/32/97/65/207329765.db2.gz	NBQVMIJSHKAYBS-OZOXKJRCSA-N	1	0	390.535	3.798	1	10		GHCFRO
Cc1cc(C(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)ccc1Br	ZINC000013779300	210089285	/nfs/dbraw/zinc/08/92/85/210089285.db2.gz	YIAGDFIUSUHRTB-UHFFFAOYSA-N	1	0	388.309	3.762	1	10		GHCFRO
Oc1ccc2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[NH+]1CCC(O)CC1	ZINC000072178643	211082183	/nfs/dbraw/zinc/08/21/83/211082183.db2.gz	OTBUSLVAMDYVGD-QHCPKHFHSA-N	1	0	377.440	3.820	1	10		GHCFRO
NC(=[NH2+])c1ccc(N2CCN(c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1	ZINC000103179165	136190785	/nfs/dbraw/zinc/19/07/85/136190785.db2.gz	NAPYBSALMGTHHY-UHFFFAOYSA-N	1	0	396.498	3.841	1	10		GHCFRO
CC[N+](CC)(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O	ZINC000095588184	717139322	/nfs/dbraw/zinc/13/93/22/717139322.db2.gz	CDAAQBRHZKXBLC-UHFFFAOYSA-N	1	0	382.480	3.856	1	10		GHCFRO