smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCC([O-])=C1C(=O)O[C@@H](CO)C1=O	ZINC000017654590	519989026	/nfs/dbraw/zinc/98/90/26/519989026.db2.gz	KZTSLHQKWLYYAC-SFHVURJKSA-N	-1	1	368.514	4.767	10	30		FJEEMM
N#CC(=C([O-])c1ccc(Br)o1)c1ccc(Cl)cc1Cl	ZINC000037346313	205024489	/nfs/dbraw/zinc/02/44/89/205024489.db2.gz	SQPRTRORYFLOPK-SECBINFHSA-N	-1	1	359.006	4.839	10	30		FJEEMM
N#Cc1c(/N=C\c2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000100484801	206224246	/nfs/dbraw/zinc/22/42/46/206224246.db2.gz	RFMGJGDIWVAVCP-OCKHKDLRSA-N	-1	1	361.264	4.717	10	30		FJEEMM
CCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000112191161	570955853	/nfs/dbraw/zinc/95/58/53/570955853.db2.gz	IKDJARVERLUASO-UHFFFAOYSA-N	-1	1	358.718	4.896	10	30		FJEEMM
O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc([O-])c(Cl)c1	ZINC000059087029	221123720	/nfs/dbraw/zinc/12/37/20/221123720.db2.gz	TZWQLADMCMLWSV-VGOFMYFVSA-N	-1	1	365.241	4.591	10	30		FJEEMM
Cc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000100046174	222232791	/nfs/dbraw/zinc/23/27/91/222232791.db2.gz	MPYITYNGIHTTOM-HYARGMPZSA-N	-1	1	368.433	4.686	10	30		FJEEMM
CCCCCCCCCc1ccc(C[N@@H+]2CC[C@@H](P(=O)([O-])[O-])C2)cc1	ZINC000036178370	208150396	/nfs/dbraw/zinc/15/03/96/208150396.db2.gz	PRUUCTGBHIGGOH-HXUWFJFHSA-N	-1	1	367.470	4.732	10	30	in-vivo	FJEEMM
CCCCCCCCCc1ccc(C[N@H+]2CC[C@@H](P(=O)([O-])[O-])C2)cc1	ZINC000036178370	208150401	/nfs/dbraw/zinc/15/04/01/208150401.db2.gz	PRUUCTGBHIGGOH-HXUWFJFHSA-N	-1	1	367.470	4.732	10	30	in-vivo	FJEEMM
Cc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1	ZINC000100046224	209209035	/nfs/dbraw/zinc/20/90/35/209209035.db2.gz	GXTFDEQZGMTZQN-HYARGMPZSA-N	-1	1	368.433	4.686	10	30		FJEEMM
C=CCn1c(COc2ccc(Br)cc2C(C)C)n[n-]c1=S	ZINC000064872245	221154862	/nfs/dbraw/zinc/15/48/62/221154862.db2.gz	SZFAJIWJHZSECE-UHFFFAOYSA-N	-1	1	368.300	4.592	10	30		FJEEMM
C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC1=C([O-])C(=O)C=C(OC)C1=O	ZINC000043606368	518660267	/nfs/dbraw/zinc/66/02/67/518660267.db2.gz	JJWITJNSXCXULM-ZKZNVZPYSA-N	-1	1	358.478	4.670	10	30		FJEEMM
Cc1ccccc1/C=N/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000100046222	209209119	/nfs/dbraw/zinc/20/91/19/209209119.db2.gz	YIOZQHBDLMVJSN-HYARGMPZSA-N	-1	1	368.433	4.686	10	30		FJEEMM
C=CC[N-]C(=S)Oc1cccc(C(=O)Nc2cccc3ccccc32)c1	ZINC000003659828	571352046	/nfs/dbraw/zinc/35/20/46/571352046.db2.gz	JXNXTBDIVLZKFC-UHFFFAOYSA-N	-1	1	362.454	4.531	10	30		FJEEMM