smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1	ZINC000000530825	567833221	/nfs/dbraw/zinc/83/32/21/567833221.db2.gz	FRNYXYVRARGLIN-NSHDSACASA-N	-1	0	291.778	4.617	50	10		CJCARM
CCOc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1	ZINC000000530826	567833267	/nfs/dbraw/zinc/83/32/67/567833267.db2.gz	FRNYXYVRARGLIN-LLVKDONJSA-N	-1	0	291.778	4.617	50	10		CJCARM
CCN(CC)c1ccc(/N=N/c2ccccc2C(=O)[O-])cc1	ZINC000003861449	567854221	/nfs/dbraw/zinc/85/42/21/567854221.db2.gz	HBRCDTRQDHMTDA-VHEBQXMUSA-N	-1	0	297.358	4.646	50	10	in-vitro	CJCARM
Cc1ccc(N=Nc2c(=O)n(C)[n-]c2-c2ccccc2)cc1	ZINC000004323473	567857007	/nfs/dbraw/zinc/85/70/07/567857007.db2.gz	QFHOUWBUYJDQIW-VHEBQXMUSA-N	-1	0	292.342	4.517	50	10		CJCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1	ZINC000004389882	567857383	/nfs/dbraw/zinc/85/73/83/567857383.db2.gz	KEUJAWYLPHMLDP-VHEBQXMUSA-N	-1	0	292.342	4.517	50	10		CJCARM
O=C([O-])C1=Cc2ccccc2C(=NNc2ccccc2)C1=O	ZINC000004417026	169966870	/nfs/dbraw/zinc/96/68/70/169966870.db2.gz	DYMRMULFWJUGDJ-VHEBQXMUSA-N	-1	0	292.294	4.659	50	10		CJCARM
O=C([O-])c1cccc(NN=C2C(=O)C=Cc3ccccc32)c1	ZINC000004506074	567868438	/nfs/dbraw/zinc/86/84/38/567868438.db2.gz	NFCGYAAQTUVYNX-VHEBQXMUSA-N	-1	0	292.294	4.659	50	10		CJCARM
Cc1[nH]c2ccccc2c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000004906320	170040067	/nfs/dbraw/zinc/04/00/67/170040067.db2.gz	ICYPJUGWHVJVHM-VHEBQXMUSA-N	-1	0	279.299	4.590	50	10		CJCARM
O=C([O-])c1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1	ZINC000005005187	170053817	/nfs/dbraw/zinc/05/38/17/170053817.db2.gz	AQRGZQUDLJBENA-VHEBQXMUSA-N	-1	0	292.294	4.659	50	10		CJCARM
O=C([O-])c1ccccc1NN=C1C(=O)C=Cc2ccccc21	ZINC000005065828	170062922	/nfs/dbraw/zinc/06/29/22/170062922.db2.gz	OMRMWDQPXBZWGS-VHEBQXMUSA-N	-1	0	292.294	4.659	50	10		CJCARM
CC1=CC(=O)C(C(C)C)=CC1=NNc1ccccc1C(=O)[O-]	ZINC000005066034	170062927	/nfs/dbraw/zinc/06/29/27/170062927.db2.gz	QLPGFQXQBRVVFO-VHEBQXMUSA-N	-1	0	298.342	4.938	50	10		CJCARM
O=C1C=C([O-])C=CC1=NNc1cc(Cl)ccc1Cl	ZINC000017157714	566913790	/nfs/dbraw/zinc/91/37/90/566913790.db2.gz	GKASMNGSPFYERF-FOCLMDBBSA-N	-1	0	283.114	4.820	50	10		CJCARM
CCN(CC)c1ccc(/N=N\c2ccccc2C(=O)[O-])cc1	ZINC000035052096	567889049	/nfs/dbraw/zinc/88/90/49/567889049.db2.gz	HBRCDTRQDHMTDA-HNENSFHCSA-N	-1	0	297.358	4.646	50	10		CJCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000100297068	567912742	/nfs/dbraw/zinc/91/27/42/567912742.db2.gz	NBLQHNIKXKDPGE-VHEBQXMUSA-N	-1	0	292.342	4.610	50	10		CJCARM
O=C([O-])c1ccc(NN=C2Sc3ccccc3C2=O)cc1	ZINC000100851959	567939157	/nfs/dbraw/zinc/93/91/57/567939157.db2.gz	DKURIEICHJIUDC-WUKNDPDISA-N	-1	0	298.323	4.721	50	10		CJCARM
CC(C)(C)C1=CC(=NNc2ccc(C(=O)[O-])cc2)C(=O)C=C1	ZINC000100929616	185730117	/nfs/dbraw/zinc/73/01/17/185730117.db2.gz	KMZUSLLYSWUQDP-VHEBQXMUSA-N	-1	0	298.342	4.803	50	10		CJCARM