smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(-c2c3ccccc3nc3cc(N)ccc32)cc1	ZINC000003846908	567853928	/nfs/dbraw/zinc/85/39/28/567853928.db2.gz	UPUDZFFFZRSNAE-UHFFFAOYSA-N	0	1	285.350	4.219	50	5		CIBAMN
O=[N+]([O-])c1ccc(Cl)c(CN2CCCCCCC2)c1	ZINC000000201080	567925042	/nfs/dbraw/zinc/92/50/42/567925042.db2.gz	AUTLQHRLOLBNAY-UHFFFAOYSA-N	0	1	282.771	4.014	50	5		CIBAMN
CC(C)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000095422720	567132199	/nfs/dbraw/zinc/13/21/99/567132199.db2.gz	KXNOOOMNYPMEEU-SUMWQHHRSA-N	0	1	299.374	4.038	50	5		CIBAMN
Cc1cc(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1	ZINC000004959729	567928001	/nfs/dbraw/zinc/92/80/01/567928001.db2.gz	RMQVUOBQPYXCJD-UHFFFAOYSA-N	0	1	279.299	4.195	50	5		CIBAMN
Cc1n[nH]c(Nc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]	ZINC000008700708	170346573	/nfs/dbraw/zinc/34/65/73/170346573.db2.gz	OBORVUASHFOTFL-UHFFFAOYSA-N	0	1	294.314	4.037	50	5		CIBAMN
CC(C)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000095422721	567132171	/nfs/dbraw/zinc/13/21/71/567132171.db2.gz	KXNOOOMNYPMEEU-DYVFJYSZSA-N	0	1	299.374	4.038	50	5		CIBAMN
CCCCn1c(=O)c2cc3ccccc3cc2[nH]c1=S	ZINC000002974090	567154655	/nfs/dbraw/zinc/15/46/55/567154655.db2.gz	CZKLUWSJQKTBDG-UHFFFAOYSA-N	0	1	284.384	4.012	50	5		CIBAMN
O=C(c1cnc2ccc3ccccc3c2c1)c1ccccc1O	ZINC000003338838	567169864	/nfs/dbraw/zinc/16/98/64/567169864.db2.gz	OJIWOFWZUNAKIM-UHFFFAOYSA-N	0	1	299.329	4.325	50	5		CIBAMN
Cc1oc2cc3o/c(=N/O)c4ccccc4c3cc2c1C	ZINC000008765160	170354854	/nfs/dbraw/zinc/35/48/54/170354854.db2.gz	JVOCOKMOLIASHK-ISLYRVAYSA-N	0	1	279.295	4.239	50	5		CIBAMN
CN(C)c1c2oc3ccccc3c2nc2ccccc21	ZINC000039172328	174164811	/nfs/dbraw/zinc/16/48/11/174164811.db2.gz	YEJBUXKATCHOBF-UHFFFAOYSA-N	0	1	262.312	4.200	50	5		CIBAMN
O=[N+]([O-])c1ccc(Nc2nc3ccc(Cl)cc3o2)cc1	ZINC000032801399	260145625	/nfs/dbraw/zinc/14/56/25/260145625.db2.gz	NJABXEQMPHYPGY-UHFFFAOYSA-N	0	1	289.678	4.133	50	5		CIBAMN
O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)cs1	ZINC000005064013	170063031	/nfs/dbraw/zinc/06/30/31/170063031.db2.gz	YJACSSHYOYINSL-UHFFFAOYSA-N	0	1	297.339	4.462	50	5		CIBAMN
CC(C)[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000095422722	567130655	/nfs/dbraw/zinc/13/06/55/567130655.db2.gz	KXNOOOMNYPMEEU-CXAGYDPISA-N	0	1	299.374	4.038	50	5		CIBAMN
Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000013132750	567116036	/nfs/dbraw/zinc/11/60/36/567116036.db2.gz	RUAWVULWPTYWLK-UHFFFAOYSA-N	0	1	299.355	4.072	50	5		CIBAMN
CC(C)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000095422719	567131335	/nfs/dbraw/zinc/13/13/35/567131335.db2.gz	KXNOOOMNYPMEEU-GUYCJALGSA-N	0	1	299.374	4.038	50	5		CIBAMN