smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1	ZINC000003917813	181058140	/nfs/dbraw/zinc/05/81/40/181058140.db2.gz	CPEHTDSISWXBQX-NTCAYCPXSA-N	0	1	324.420	5.247	1	30		DKEFMN
Cc1cccc(CN=Nc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000004920875	181173198	/nfs/dbraw/zinc/17/31/98/181173198.db2.gz	MNFABIGIBPFYNQ-AWQFTUOYSA-N	0	1	312.722	5.113	1	30		DKEFMN
Fc1ccc(N=NCc2ccc(-c3ccccc3)cc2)c(F)c1	ZINC000005019334	181191862	/nfs/dbraw/zinc/19/18/62/181191862.db2.gz	GVAPYEFMSDWJGX-LPYMAVHISA-N	0	1	308.331	5.078	1	30		DKEFMN
CC(C)=Cc1cc(C)c2c(O)cc(C)c3c2c1C(C)C(=O)C3=O	ZINC000006521857	181348562	/nfs/dbraw/zinc/34/85/62/181348562.db2.gz	JCTYRKCPZLZPOT-UHFFFAOYSA-N	0	1	308.377	5.071	1	30		DKEFMN
O=C(/C=C/c1ccccc1Cl)c1ccc2ccccc2c1O	ZINC000073223745	191296077	/nfs/dbraw/zinc/29/60/77/191296077.db2.gz	SJPYJWSNRGAPDC-ZRDIBKRKSA-N	0	1	308.764	5.095	1	30		DKEFMN
O=C(/C=C/c1ccccc1Cl)c1c(O)ccc2ccccc21	ZINC000073240437	191296290	/nfs/dbraw/zinc/29/62/90/191296290.db2.gz	PLUBRJKWDXVFIA-ZRDIBKRKSA-N	0	1	308.764	5.095	1	30		DKEFMN
O=C(/C=C/c1ccc(Cl)cc1)c1c(O)ccc2ccccc21	ZINC000082157908	185174112	/nfs/dbraw/zinc/17/41/12/185174112.db2.gz	AHTYQZALRBUBBT-YRNVUSSQSA-N	0	1	308.764	5.095	1	30		DKEFMN
O/N=C(\CSc1ccccc1)c1cc(Cl)sc1Cl	ZINC000095575746	185380522	/nfs/dbraw/zinc/38/05/22/185380522.db2.gz	SROFSCGLJHBGGF-XNTDXEJSSA-N	0	1	318.250	5.026	1	30		DKEFMN
O/N=C(\CSc1cccs1)c1cc(Cl)sc1Cl	ZINC000095580385	185380975	/nfs/dbraw/zinc/38/09/75/185380975.db2.gz	XUUZKYUTGJTPJO-NTUHNPAUSA-N	0	1	324.279	5.087	1	30		DKEFMN
CCCCCCCCCCSc1nc(CC)nc2nc[nH]c21	ZINC000095602613	185382296	/nfs/dbraw/zinc/38/22/96/185382296.db2.gz	MPQBBYPZXQBCGF-UHFFFAOYSA-N	0	1	320.506	5.148	1	30		DKEFMN
Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(C)c1Cl	ZINC000096924163	185391874	/nfs/dbraw/zinc/39/18/74/185391874.db2.gz	RFPVTAIWHKPYRK-VMPITWQZSA-N	0	1	321.203	5.212	1	30		DKEFMN
Cc1cc(O)c(C(=O)/C=C/c2ccccc2Cl)c(C)c1Cl	ZINC000096924164	185391750	/nfs/dbraw/zinc/39/17/50/185391750.db2.gz	UZIPRZUXUHSPBN-BQYQJAHWSA-N	0	1	321.203	5.212	1	30		DKEFMN
CC1(C)c2ccccc2N=C1/C=C/c1c[nH]c2cccc(C#N)c12	ZINC000096934737	185392716	/nfs/dbraw/zinc/39/27/16/185392716.db2.gz	BMAHVWWPCDHUCJ-ZHACJKMWSA-N	0	1	311.388	5.117	1	30		DKEFMN