smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)NC1CCN(Cc2ccc(N)cc2)CC1	ZINC000034464777	425842473	/nfs/dbraw/zinc/84/24/73/425842473.db2.gz	WDXXUJZDWWVICV-UHFFFAOYSA-N	0	3	305.422	2.758	10	10		DFCEHN
O=C1[C@H](CN2CCCCC2)SC(=S)N1c1ccccc1	ZINC000005774364	181282875	/nfs/dbraw/zinc/28/28/75/181282875.db2.gz	LVAHLQVLRBROTQ-ZDUSSCGKSA-N	0	3	306.456	2.906	10	10		DFCEHN
CCOC(=O)C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1[O-]	ZINC000575440055	430084586	/nfs/dbraw/zinc/08/45/86/430084586.db2.gz	ZZVUVHRVMVHCPY-MRXNPFEDSA-N	0	3	315.369	2.924	10	10		DFCEHN
[O-]c1c(O)cc2c(c1Cl)CC[NH2+]C[C@H]2c1cccc(O)c1	ZINC000026392768	425811788	/nfs/dbraw/zinc/81/17/88/425811788.db2.gz	IFUGHZWPGOPLQC-ZDUSSCGKSA-N	0	3	305.761	2.734	10	10		DFCEHN
COc1ccc(CN(C)CCOc2ccc(N)cc2)cc1OC	ZINC000138944735	398881153	/nfs/dbraw/zinc/88/11/53/398881153.db2.gz	AFSZUTLUNQVPJG-UHFFFAOYSA-N	0	3	316.401	2.797	10	10		DFCEHN
Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1	ZINC000065373758	184330679	/nfs/dbraw/zinc/33/06/79/184330679.db2.gz	KRMHSMAHABACJO-GOSISDBHSA-N	0	3	318.461	2.777	10	10		DFCEHN
Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)c1	ZINC000065373758	184330680	/nfs/dbraw/zinc/33/06/80/184330680.db2.gz	KRMHSMAHABACJO-GOSISDBHSA-N	0	3	318.461	2.777	10	10		DFCEHN
Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)c1	ZINC000065373759	184330614	/nfs/dbraw/zinc/33/06/14/184330614.db2.gz	KRMHSMAHABACJO-SFHVURJKSA-N	0	3	318.461	2.777	10	10		DFCEHN
Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1	ZINC000065373759	184330615	/nfs/dbraw/zinc/33/06/15/184330615.db2.gz	KRMHSMAHABACJO-SFHVURJKSA-N	0	3	318.461	2.777	10	10		DFCEHN
O=C1[C@@H](CN2CCCCC2)SC(=S)N1c1ccccc1	ZINC000005774411	181282949	/nfs/dbraw/zinc/28/29/49/181282949.db2.gz	LVAHLQVLRBROTQ-CYBMUJFWSA-N	0	3	306.456	2.906	10	10		DFCEHN
CCOC(=O)C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1[O-]	ZINC000575440107	430084421	/nfs/dbraw/zinc/08/44/21/430084421.db2.gz	ZZVUVHRVMVHCPY-INIZCTEOSA-N	0	3	315.369	2.924	10	10		DFCEHN
Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12	ZINC000005822871	181286720	/nfs/dbraw/zinc/28/67/20/181286720.db2.gz	GZQOFEOTVUDSLP-UHFFFAOYSA-N	0	3	322.412	2.570	10	10		DFCEHN
[O-]c1c(O)cc2c(c1Cl)CC[NH2+]C[C@@H]2c1cccc(O)c1	ZINC000026392772	425811925	/nfs/dbraw/zinc/81/19/25/425811925.db2.gz	IFUGHZWPGOPLQC-CYBMUJFWSA-N	0	3	305.761	2.734	10	10		DFCEHN
COc1ccc(CNCc2cccnc2)cc1Cn1ccnc1	ZINC000009740641	425693802	/nfs/dbraw/zinc/69/38/02/425693802.db2.gz	USGNJOIWSWBUKZ-UHFFFAOYSA-N	0	3	308.385	2.625	10	10		DFCEHN