smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(Cl)c1	ZINC000000280148	563629436	/nfs/dbraw/zinc/62/94/36/563629436.db2.gz	QDVAOILRXGKAKR-UHFFFAOYSA-N	0	1	320.578	5.104	50	10		DKCAMN
Fc1ccc(-c2nc([C@@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1	ZINC000000469218	563260190	/nfs/dbraw/zinc/26/01/90/563260190.db2.gz	DNSIDEPSUKFXCH-QGZVFWFLSA-N	0	1	318.395	5.707	50	10		DKCAMN
Fc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1	ZINC000000469219	563259916	/nfs/dbraw/zinc/25/99/16/563259916.db2.gz	DNSIDEPSUKFXCH-KRWDZBQOSA-N	0	1	318.395	5.707	50	10		DKCAMN
[O-]c1ccc2ccccc2c1[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000001040902	563275306	/nfs/dbraw/zinc/27/53/06/563275306.db2.gz	RJMSVDFLOXQKOO-QFIPXVFZSA-N	0	1	317.432	5.121	50	10		DKCAMN
[O-]c1ccc2ccccc2c1[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000001040903	563275188	/nfs/dbraw/zinc/27/51/88/563275188.db2.gz	RJMSVDFLOXQKOO-JOCHJYFZSA-N	0	1	317.432	5.121	50	10		DKCAMN
COc1cccc(Cl)c1NN=C1C(=O)C=Cc2ccccc21	ZINC000004419448	181108069	/nfs/dbraw/zinc/10/80/69/181108069.db2.gz	CFUWMBRPJNHUND-FMQUCBEESA-N	0	1	312.756	5.623	50	10		DKCAMN
[O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1c1cccs1	ZINC000033087112	563444249	/nfs/dbraw/zinc/44/42/49/563444249.db2.gz	JTLUZRIXBYUMGL-OAHLLOKOSA-N	0	1	321.873	5.224	50	10		DKCAMN
[O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1c1cccs1	ZINC000033087112	563444248	/nfs/dbraw/zinc/44/42/48/563444248.db2.gz	JTLUZRIXBYUMGL-OAHLLOKOSA-N	0	1	321.873	5.224	50	10		DKCAMN
[O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1c1cccs1	ZINC000033087113	563444407	/nfs/dbraw/zinc/44/44/07/563444407.db2.gz	JTLUZRIXBYUMGL-HNNXBMFYSA-N	0	1	321.873	5.224	50	10		DKCAMN
[O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@H]1c1cccs1	ZINC000033087113	563444405	/nfs/dbraw/zinc/44/44/05/563444405.db2.gz	JTLUZRIXBYUMGL-HNNXBMFYSA-N	0	1	321.873	5.224	50	10		DKCAMN
Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c([N+](=O)[O-])c1	ZINC000100007537	563544664	/nfs/dbraw/zinc/54/46/64/563544664.db2.gz	ZLFVRXUOSPRRKQ-VHEBQXMUSA-N	0	1	307.309	5.177	50	10	in-vitro	DKCAMN
Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c([N+](=O)[O-])c1	ZINC000100346662	193798548	/nfs/dbraw/zinc/79/85/48/193798548.db2.gz	ZLFVRXUOSPRRKQ-HNENSFHCSA-N	0	1	307.309	5.177	50	10		DKCAMN
Cc1ccc2nc(NN=C3C=CC(=O)c4ccccc43)sc2c1	ZINC000100689915	193803407	/nfs/dbraw/zinc/80/34/07/193803407.db2.gz	WMGAJPNDPAKQNM-QZQOTICOSA-N	0	1	319.389	5.879	50	10		DKCAMN
CC1=CC(N=Nc2ccccc2)=CC(=[NH+][N-]c2ccccc2)C1=O	ZINC000102413386	563559403	/nfs/dbraw/zinc/55/94/03/563559403.db2.gz	RPZZLBYXHLWEOJ-DQPVQCHKSA-N	0	1	316.364	6.531	50	10		DKCAMN
COc1cccc(Cl)c1NN=C1C(=O)C=Cc2ccccc21	ZINC000252596027	563917405	/nfs/dbraw/zinc/91/74/05/563917405.db2.gz	CFUWMBRPJNHUND-UHFFFAOYSA-N	0	1	312.756	5.623	50	10		DKCAMN