smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2c3ccccc3[nH+]c3ccccc32)CC1	ZINC000006646126	368569227	/nfs/dbraw/zinc/56/92/27/368569227.db2.gz	XHTLDEKMWBOVSQ-UHFFFAOYSA-N	2	0	277.371	3.140	50	10		CGCARP
N#[N+]C[C@@H]1CC2=C[C@H](c3ccccc3)C=C[C@H]2[C@H]1C[N+]#N	ZINC000257345423	534974894	/nfs/dbraw/zinc/97/48/94/534974894.db2.gz	GPHUTUPMYKRYIT-XBVQOTNRSA-N	2	0	276.343	3.120	50	10		CGCARP
CC[C@H](C)Cc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000008729835	287563944	/nfs/dbraw/zinc/56/39/44/287563944.db2.gz	FAVRAVSICFFZOJ-ZDUSSCGKSA-N	2	0	278.440	3.104	50	10		CGCARP
C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000055370488	369516546	/nfs/dbraw/zinc/51/65/46/369516546.db2.gz	TUNXYINGEGMWPU-DOTOQJQBSA-N	2	0	288.435	3.089	50	10		CGCARP
CCC[C@@H](C)c1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000008729832	170350782	/nfs/dbraw/zinc/35/07/82/170350782.db2.gz	AXCAGFCIWIIIHF-CYBMUJFWSA-N	2	0	278.440	3.419	50	10		CGCARP
[NH3+]CCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000072233477	176344619	/nfs/dbraw/zinc/34/46/19/176344619.db2.gz	UQMBOTIYHHLIPZ-UHFFFAOYSA-N	2	0	251.333	3.149	50	10		CGCARP
CCC[C@H](C)c1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000008729833	170350942	/nfs/dbraw/zinc/35/09/42/170350942.db2.gz	AXCAGFCIWIIIHF-ZDUSSCGKSA-N	2	0	278.440	3.419	50	10		CGCARP
CC1CC[NH+](CCC[NH2+]Cc2cc(Cl)ccc2O)CC1	ZINC000020146307	171032604	/nfs/dbraw/zinc/03/26/04/171032604.db2.gz	HUUXTFWDGGEAGA-UHFFFAOYSA-N	2	0	296.842	3.257	50	10		CGCARP
Oc1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1	ZINC000071792570	176263447	/nfs/dbraw/zinc/26/34/47/176263447.db2.gz	MLFBOEAOHADDJG-UHFFFAOYSA-N	2	0	288.435	3.136	50	10		CGCARP
CN(C)c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000000140664	368301224	/nfs/dbraw/zinc/30/12/24/368301224.db2.gz	QHOMAMNYIIILEC-UHFFFAOYSA-N	2	0	289.467	3.151	50	10		CGCARP
N#[N+]C[C@@H]1CC2=C[C@H](c3ccccc3)C=C[C@H]2[C@@H]1C[N+]#N	ZINC000004571204	534974926	/nfs/dbraw/zinc/97/49/26/534974926.db2.gz	GPHUTUPMYKRYIT-XLNGHYISSA-N	2	0	276.343	3.120	50	10		CGCARP
N#[N+]C[C@@H]1CC2=C[C@H](c3ccccc3)C=C[C@@H]2[C@@H]1C[N+]#N	ZINC000004571201	534974854	/nfs/dbraw/zinc/97/48/54/534974854.db2.gz	GPHUTUPMYKRYIT-BSWAZPDLSA-N	2	0	276.343	3.120	50	10		CGCARP
N#[N+]C[C@@H]1CC2=C[C@H](c3ccccc3)C=C[C@@H]2[C@H]1C[N+]#N	ZINC000257345422	377797464	/nfs/dbraw/zinc/79/74/64/377797464.db2.gz	GPHUTUPMYKRYIT-IWCQGFGOSA-N	2	0	276.343	3.120	50	10		CGCARP
CC[C@@H](C)Cc1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000008729834	280096923	/nfs/dbraw/zinc/09/69/23/280096923.db2.gz	FAVRAVSICFFZOJ-CYBMUJFWSA-N	2	0	278.440	3.104	50	10		CGCARP