smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(\C)C(=O)[O-]	ZINC000013376487	560215565	/nfs/dbraw/zinc/21/55/65/560215565.db2.gz	SAMAJCLBXKAWIT-KFCMCJRJSA-N	-1	0	234.339	3.790	1	30	in-vitro	BHEFRM
C=C1CC[C@H](C(C)C)[C@H]2C=C(C(=O)[O-])CC[C@H]12	ZINC000013381123	560215950	/nfs/dbraw/zinc/21/59/50/560215950.db2.gz	DTPZSZZVUKXNSJ-MGPQQGTHSA-N	-1	0	234.339	3.646	1	30	biogenic,in-vitro	BHEFRM
C=CCCCC[C@]1(C)SC(=O)C(C)=C1[O-]	ZINC000013678488	187251332	/nfs/dbraw/zinc/25/13/32/187251332.db2.gz	VHYQZNQCEOCRPW-LBPRGKRZSA-N	-1	0	226.341	3.597	1	30		BHEFRM
C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)C(=O)[O-]	ZINC000014690721	571720311	/nfs/dbraw/zinc/72/03/11/571720311.db2.gz	PMCPDNGTLRPFQQ-NUHMSGJRSA-N	-1	0	234.339	3.790	1	30	endogenous,in-man	BHEFRM
C=C1[C@H]2CC[C@H](C2)[C@@]1(C)CC/C=C(/C)C(=O)[O-]	ZINC000014690723	571720342	/nfs/dbraw/zinc/72/03/42/571720342.db2.gz	PMCPDNGTLRPFQQ-GSHQRDRYSA-N	-1	0	234.339	3.790	1	30	endogenous,in-man	BHEFRM
C=C(C)[C@H]1CC[C@]2(C)CC=C(C(=O)[O-])CC[C@@H]12	ZINC000014956157	290783626	/nfs/dbraw/zinc/78/36/26/290783626.db2.gz	XGIXSMYBMGPSNO-IPYPFGDCSA-N	-1	0	234.339	3.790	1	30	biogenic,in-vitro	BHEFRM
C=C(C)[C@@H]1CC[C@@]2(C)CCC=C(C(=O)[O-])[C@@H]2C1	ZINC000015206217	290783069	/nfs/dbraw/zinc/78/30/69/290783069.db2.gz	OKCQGVKXNGQQFZ-OSAQELSMSA-N	-1	0	234.339	3.790	1	30	biogenic,in-vitro	BHEFRM
C=C(C)[C@@H]1CC[C@@]2(C)CCCC(C(=O)[O-])=C2C1	ZINC000015206243	560229282	/nfs/dbraw/zinc/22/92/82/560229282.db2.gz	UPRJMZGSOCQFML-IAQYHMDHSA-N	-1	0	234.339	3.934	1	30	biogenic,in-vitro	BHEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)C=CC=C(C)[C@@H]2C1	ZINC000015207972	571735748	/nfs/dbraw/zinc/73/57/48/571735748.db2.gz	WUAXEEZNSBQKSA-IPYPFGDCSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)C=CC=C(C)[C@@H]2C1	ZINC000015207974	571735911	/nfs/dbraw/zinc/73/59/11/571735911.db2.gz	WUAXEEZNSBQKSA-VNHYZAJKSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
C=C(C(=O)[O-])[C@H]1CC[C@]2(C)C=CC=C(C)[C@@H]2C1	ZINC000015207976	571735903	/nfs/dbraw/zinc/73/59/03/571735903.db2.gz	WUAXEEZNSBQKSA-YDHLFZDLSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
C=C(C(=O)[O-])[C@H]1CC[C@@]2(C)C=CC=C(C)[C@@H]2C1	ZINC000015207978	571735947	/nfs/dbraw/zinc/73/59/47/571735947.db2.gz	WUAXEEZNSBQKSA-KCQAQPDRSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
C=C(C(=O)[O-])[C@H]1C=C2C(C)=CCC[C@]2(C)CC1	ZINC000015207991	560229309	/nfs/dbraw/zinc/22/93/09/560229309.db2.gz	PPPHDQNXPNUKNK-IUODEOHRSA-N	-1	0	232.323	3.710	1	30	biogenic,in-vitro	BHEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@@]2(C)C=CC=C(C)[C@H]2C1	ZINC000031169058	574414027	/nfs/dbraw/zinc/41/40/27/574414027.db2.gz	WUAXEEZNSBQKSA-UMVBOHGHSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
N#Cc1ccccc1Nc1ccccc1[S-]	ZINC000031829993	181149509	/nfs/dbraw/zinc/14/95/09/181149509.db2.gz	DANJNCZFHIQPFN-UHFFFAOYSA-N	-1	0	226.304	3.591	1	30		BHEFRM
C=C1CC/C=C(\C(=O)[O-])CC[C@H]2[C@@H]1CC2(C)C	ZINC000031872596	187207997	/nfs/dbraw/zinc/20/79/97/187207997.db2.gz	NXPSZVSYBXSYPZ-CUBYMHMKSA-N	-1	0	234.339	3.790	1	30		BHEFRM
C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(\C)C(=O)[O-]	ZINC000038218935	560086361	/nfs/dbraw/zinc/08/63/61/560086361.db2.gz	PMCPDNGTLRPFQQ-MEPYFGFUSA-N	-1	0	234.339	3.790	1	30	biogenic,in-vitro	BHEFRM
C=C(C(=O)[O-])[C@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12	ZINC000038589999	290782102	/nfs/dbraw/zinc/78/21/02/290782102.db2.gz	PLQMEXSCSAIXGB-CABNGKKXSA-N	-1	0	234.339	3.646	1	30	biogenic,in-vitro	BHEFRM
CC1=C([O-])[C@@](C)(/C=C2/C=CCCC2)SC1=O	ZINC000053021543	168088775	/nfs/dbraw/zinc/08/87/75/168088775.db2.gz	MZCRMMWCZVSRNM-CHOZFAJLSA-N	-1	0	236.336	3.517	1	30		BHEFRM
CC1=C([O-])[C@](C)(/C=C2/C=CCCC2)SC1=O	ZINC000053185055	168087652	/nfs/dbraw/zinc/08/76/52/168087652.db2.gz	MZCRMMWCZVSRNM-KJJQSCHISA-N	-1	0	236.336	3.517	1	30		BHEFRM
C=C(C)[C@H]1CCC(C(=O)[O-])=C2CC[C@@H](C)[C@H]2C1	ZINC000070454371	290783625	/nfs/dbraw/zinc/78/36/25/290783625.db2.gz	JNYAUBXATZXFIU-UHIISALHSA-N	-1	0	234.339	3.790	1	30	biogenic,in-vitro	BHEFRM
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)C=CC=C(C)[C@H]2C1	ZINC000085757681	574416770	/nfs/dbraw/zinc/41/67/70/574416770.db2.gz	WUAXEEZNSBQKSA-NFAWXSAZSA-N	-1	0	232.323	3.566	1	30	endogenous,in-man	BHEFRM
CCCCCCCCC(=O)CCCCC(=O)[O-]	ZINC000086039283	571794273	/nfs/dbraw/zinc/79/42/73/571794273.db2.gz	FCMLVMXRWKFUTG-UHFFFAOYSA-N	-1	0	242.359	3.951	1	30	endogenous,in-man	BHEFRM
CC1=C([O-])[C@@](C)(CC2CCCCC2)SC1=O	ZINC000101032234	168088498	/nfs/dbraw/zinc/08/84/98/168088498.db2.gz	KAXPGECXKUZZJW-CYBMUJFWSA-N	-1	0	240.368	3.821	1	30		BHEFRM
CC1=C([O-])[C@](C)(CC2CCCCC2)SC1=O	ZINC000101032235	168088514	/nfs/dbraw/zinc/08/85/14/168088514.db2.gz	KAXPGECXKUZZJW-ZDUSSCGKSA-N	-1	0	240.368	3.821	1	30		BHEFRM
CCC(CC)C[C@@]1(C)SC([O-])=C(C)C1=O	ZINC000101033164	168367688	/nfs/dbraw/zinc/36/76/88/168367688.db2.gz	OMQNPOBILVHKED-GFCCVEGCSA-N	-1	0	228.357	3.677	1	30		BHEFRM
CCC(CC)C[C@]1(C)SC([O-])=C(C)C1=O	ZINC000101033168	168367077	/nfs/dbraw/zinc/36/70/77/168367077.db2.gz	OMQNPOBILVHKED-LBPRGKRZSA-N	-1	0	228.357	3.677	1	30		BHEFRM
CC1=C([O-])S[C@@](C)([C@@H](C)c2ccccc2)C1=O	ZINC000101036079	168087816	/nfs/dbraw/zinc/08/78/16/168087816.db2.gz	GMPLTSVOQHFAEV-HZMBPMFUSA-N	-1	0	248.347	3.654	1	30		BHEFRM
CC1=C([O-])S[C@](C)([C@@H](C)c2ccccc2)C1=O	ZINC000101036081	168088662	/nfs/dbraw/zinc/08/86/62/168088662.db2.gz	GMPLTSVOQHFAEV-IINYFYTJSA-N	-1	0	248.347	3.654	1	30		BHEFRM
CC1=C([O-])S[C@@](C)([C@H](C)c2ccccc2)C1=O	ZINC000101036082	168088422	/nfs/dbraw/zinc/08/84/22/168088422.db2.gz	GMPLTSVOQHFAEV-YGRLFVJLSA-N	-1	0	248.347	3.654	1	30		BHEFRM
CC1=C([O-])S[C@](C)([C@H](C)c2ccccc2)C1=O	ZINC000101036083	168088520	/nfs/dbraw/zinc/08/85/20/168088520.db2.gz	GMPLTSVOQHFAEV-QMTHXVAHSA-N	-1	0	248.347	3.654	1	30		BHEFRM
CCCC/C=C/[C@]1(C)SC(=O)C(C)=C1[O-]	ZINC000101122611	188323099	/nfs/dbraw/zinc/32/30/99/188323099.db2.gz	ZTFVKDBRMHIWTA-GUOLPTJISA-N	-1	0	226.341	3.597	1	30		BHEFRM
C[C@]1(c2ccccc2[S-])C=CC=C[C@@H]1S	ZINC000086862312	385054848	/nfs/dbraw/zinc/05/48/48/385054848.db2.gz	ZGCYEJKOKSDQHQ-QWHCGFSZSA-N	-1	0	234.389	3.657	2	30		BHEFRM
C[C@@]1(c2ccccc2[S-])C=CC=C[C@@H]1S	ZINC000086862313	385054396	/nfs/dbraw/zinc/05/43/96/385054396.db2.gz	ZGCYEJKOKSDQHQ-STQMWFEESA-N	-1	0	234.389	3.657	2	30		BHEFRM
C[C@]1(c2ccccc2[S-])C=CC=C[C@H]1S	ZINC000086862315	385053626	/nfs/dbraw/zinc/05/36/26/385053626.db2.gz	ZGCYEJKOKSDQHQ-CHWSQXEVSA-N	-1	0	234.389	3.657	2	30		BHEFRM
C[C@@]1(c2ccccc2[S-])C=CC=C[C@H]1S	ZINC000086862317	385053661	/nfs/dbraw/zinc/05/36/61/385053661.db2.gz	ZGCYEJKOKSDQHQ-OLZOCXBDSA-N	-1	0	234.389	3.657	2	30		BHEFRM