smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@@]1(C)C/C(=N/O)c2ccc(O)cc2O1	ZINC000044247206	175156384	/nfs/dbraw/zinc/15/63/84/175156384.db2.gz	QGIDVCWTIKGSJW-LXMVLSBBSA-N	0	1	291.391	4.472	1	30		CIEFMN
Cc1[nH]c2ccccc2c1C=NNc1ccc(F)cc1F	ZINC000004924262	170041484	/nfs/dbraw/zinc/04/14/84/170041484.db2.gz	DLGDBRNRJKRPIO-DJKKODMXSA-N	0	1	285.297	4.201	1	30		CIEFMN
CCCCCCC[C@]1(C)C/C(=N/O)c2ccc(O)cc2O1	ZINC000044247204	175156348	/nfs/dbraw/zinc/15/63/48/175156348.db2.gz	QGIDVCWTIKGSJW-KCGBVJQISA-N	0	1	291.391	4.472	1	30		CIEFMN
CCCCCC(O)=CC(=O)C=Cc1ccc(O)c(OC)c1	ZINC000100885215	560052694	/nfs/dbraw/zinc/05/26/94/560052694.db2.gz	FZWNRFAUDBWSKY-YUKZMVOFSA-N	0	1	290.359	4.005	1	30	biogenic,in-vitro	CIEFMN
C=CCOc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3	ZINC000045391368	175374613	/nfs/dbraw/zinc/37/46/13/175374613.db2.gz	PPQOXJFDECRPBT-QGZVFWFLSA-N	0	1	291.394	4.004	1	30	in-vitro	CIEFMN
CC1=C(O)[C@](C)(/C=C2/C=C/CCCCC2)SC1=O	ZINC000053275882	520841042	/nfs/dbraw/zinc/84/10/42/520841042.db2.gz	DZTAZMBSUSMJMI-JQFYYSCOSA-N	0	1	264.390	4.297	1	30		CIEFMN
O=C(/C=C/c1ccccc1C(F)(F)F)c1ccccc1O	ZINC000096903284	185127811	/nfs/dbraw/zinc/12/78/11/185127811.db2.gz	LSFPYNVKZANYQT-MDZDMXLPSA-N	0	1	292.256	4.307	1	30		CIEFMN
Nc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c(O)c1	ZINC000096914970	185129472	/nfs/dbraw/zinc/12/94/72/185129472.db2.gz	KBVKGJFDVCFBCP-UXBLZVDNSA-N	0	1	289.334	4.024	1	30		CIEFMN
CC(=Nc1ccc(O)cc1)C1Sc2ccccc2C1=O	ZINC000020194062	171060127	/nfs/dbraw/zinc/06/01/27/171060127.db2.gz	YQOVLZRFLVGMEZ-LICLKQGHSA-N	0	1	283.352	4.453	1	30		CIEFMN
CC1=C(O)[C@](C)(Cc2c(C)cc(C)cc2C)SC1=O	ZINC000101034697	185732561	/nfs/dbraw/zinc/73/25/61/185732561.db2.gz	DECFZFGYRJPNKA-INIZCTEOSA-N	0	1	276.401	4.018	1	30		CIEFMN
CCC(C)(C)c1ccc(Sc2c[nH]c(=O)c(C#N)c2)cc1	ZINC000095598246	185015609	/nfs/dbraw/zinc/01/56/09/185015609.db2.gz	PAHSPAOJQGRWMK-UHFFFAOYSA-N	0	1	298.411	4.498	1	30		CIEFMN
Cc1ccc(C=NN=c2cc(C)c3ccccc3[nH]2)s1	ZINC000005553589	170112272	/nfs/dbraw/zinc/11/22/72/170112272.db2.gz	SZDNAIARPOBGAJ-LICLKQGHSA-N	0	1	281.384	4.359	1	30		CIEFMN
Cc1ccc(CN=Nc2cc(C)c3ccccc3n2)s1	ZINC000005553589	170112273	/nfs/dbraw/zinc/11/22/73/170112273.db2.gz	SZDNAIARPOBGAJ-LICLKQGHSA-N	0	1	281.384	4.359	1	30		CIEFMN
Nc1ccc(C(=O)/C=C/c2csc3ccccc23)c(O)c1	ZINC000096914968	185129599	/nfs/dbraw/zinc/12/95/99/185129599.db2.gz	PICQBDTWRQPJAF-VMPITWQZSA-N	0	1	295.363	4.085	1	30		CIEFMN
CCCC[C@@H](CC)C[C@]1(C)SC(O)=C(C)C1=O	ZINC000101034949	185732515	/nfs/dbraw/zinc/73/25/15/185732515.db2.gz	VLJYGBUQBGLSQC-RISCZKNCSA-N	0	1	256.411	4.457	1	30		CIEFMN
O=C(/C=C/C=C/c1ccc(Cl)cc1)c1ccccc1O	ZINC000095589552	185014516	/nfs/dbraw/zinc/01/45/16/185014516.db2.gz	GEUBOANDXYLBSM-JGOQQPJWSA-N	0	1	284.742	4.498	1	30		CIEFMN
O=C(C=Cc1ccccc1)C=C(O)CCc1ccccc1	ZINC000103537615	560052147	/nfs/dbraw/zinc/05/21/47/560052147.db2.gz	MJCANANSGRMBIC-HHEXEYPASA-N	0	1	278.351	4.344	1	30	biogenic,in-vitro	CIEFMN
O=C(C=Cc1ccccc1)CC(=O)CCc1ccccc1	ZINC000103537615	560052148	/nfs/dbraw/zinc/05/21/48/560052148.db2.gz	MJCANANSGRMBIC-HHEXEYPASA-N	0	1	278.351	4.344	1	30	biogenic,in-vitro	CIEFMN
CSc1ccc(CN=Nc2ccc(F)cc2F)cc1	ZINC000005162385	170072525	/nfs/dbraw/zinc/07/25/25/170072525.db2.gz	DFCLSXXYSWOIBS-RQZCQDPDSA-N	0	1	278.327	4.133	1	30		CIEFMN
C#CCN(Cc1ccccc1)Cc1ccc2ccccc2c1	ZINC000038879496	174158830	/nfs/dbraw/zinc/15/88/30/174158830.db2.gz	HZFMMDJCSVKFBX-UHFFFAOYSA-N	0	1	285.390	4.475	1	30		CIEFMN