smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C(c2ccccc2)=C([O-])[C@H]2CC=CC[C@H]12	ZINC000028759863	187255665	/nfs/dbraw/zinc/25/56/65/187255665.db2.gz	KDSHBWMZFPXLDX-RYUDHWBXSA-N	-1	3	226.275	2.504	1	0		BFAFHM
COc1ccc2oc(C(=O)[O-])c3c2c1CCC3	ZINC000005812979	175230911	/nfs/dbraw/zinc/23/09/11/175230911.db2.gz	CHJILIANOLDCJD-UHFFFAOYSA-N	-1	3	232.235	2.628	1	0		BFAFHM
[O-]c1cc(O)cc2c1Oc1ccccc1CC2	ZINC000040913947	560078678	/nfs/dbraw/zinc/07/86/78/560078678.db2.gz	CYFMLBQMCKMNJT-UHFFFAOYSA-N	-1	3	228.247	2.989	1	0	biogenic,in-vitro	BFAFHM
[O-]c1ccc2c(c1)OCC(c1ccc(O)cc1)=N2	ZINC000053151203	183268685	/nfs/dbraw/zinc/26/86/85/183268685.db2.gz	OZTZEJHIEFWILS-UHFFFAOYSA-N	-1	3	241.246	2.611	1	0		BFAFHM
CCC[C@@H](C(=O)c1ccc([O-])cc1)N1CCCC1	ZINC000013682078	169347591	/nfs/dbraw/zinc/34/75/91/169347591.db2.gz	XCHIECWEKDGHNL-AWEZNQCLSA-N	-1	3	247.338	2.839	1	0		BFAFHM
CN(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1	ZINC000013560835	172382552	/nfs/dbraw/zinc/38/25/52/172382552.db2.gz	DTGUFTPPQXTCDU-UHFFFAOYSA-N	-1	3	248.204	2.505	1	0		BFAFHM
COc1cc(O)cc2cc(C)c(C(C)=O)c([O-])c21	ZINC000013307208	175006126	/nfs/dbraw/zinc/00/61/26/175006126.db2.gz	XHEPMMCLXBHCRW-UHFFFAOYSA-N	-1	3	246.262	2.771	1	0		BFAFHM
C[C@H](c1ccc(-c2ccccc2)o1)N([O-])C(N)=O	ZINC000011688745	177031870	/nfs/dbraw/zinc/03/18/70/177031870.db2.gz	ANWBRNBFWNTBRG-SECBINFHSA-N	-1	3	246.266	2.778	1	0		BFAFHM
O=c1cc([O-])c2cc(-c3ccncc3)c[nH]c-2c1	ZINC000013738183	183261364	/nfs/dbraw/zinc/26/13/64/183261364.db2.gz	QYWQBBCHWNMFSG-UHFFFAOYSA-N	-1	3	238.246	2.708	1	0	in-vivo	BFAFHM
O=c1cc([O-])cc2[nH]cc(-c3ccncc3)cc1-2	ZINC000013738183	183261366	/nfs/dbraw/zinc/26/13/66/183261366.db2.gz	QYWQBBCHWNMFSG-UHFFFAOYSA-N	-1	3	238.246	2.708	1	0	in-vivo	BFAFHM
C[C@@H](c1ccccc1)C1CC(=O)C=C([O-])C1	ZINC000102918010	176019301	/nfs/dbraw/zinc/01/93/01/176019301.db2.gz	PHCHXVBFAARFQC-JTQLQIEISA-N	-1	3	216.280	2.728	1	0		BFAFHM
CCOC(=O)CCc1ccc2occc2c1[O-]	ZINC000014443354	290771213	/nfs/dbraw/zinc/77/12/13/290771213.db2.gz	YFBKETOOUCGSLU-UHFFFAOYSA-N	-1	3	234.251	2.634	1	0	biogenic,in-vitro	BFAFHM
c1ccc2c(c1)-c1ccccc1C2Cc1nnn[n-]1	ZINC000013735069	183440796	/nfs/dbraw/zinc/44/07/96/183440796.db2.gz	GLRQSOKWHSQWBA-UHFFFAOYSA-N	-1	3	248.289	2.555	1	0		BFAFHM
c1ccc2c(c1)-c1ccccc1C2Cc1nn[n-]n1	ZINC000013735069	183440797	/nfs/dbraw/zinc/44/07/97/183440797.db2.gz	GLRQSOKWHSQWBA-UHFFFAOYSA-N	-1	3	248.289	2.555	1	0		BFAFHM
COc1cccc2c(=O)c3c([n-]c12)OC(C)(C)C3	ZINC000000345761	175300236	/nfs/dbraw/zinc/30/02/36/175300236.db2.gz	CYXJXCFNCCXUDN-UHFFFAOYSA-N	-1	3	245.278	2.663	3	0		BFAFHM
C[C@@H](c1ccc(-c2ccccc2)o1)N([O-])C(N)=O	ZINC000000010347	176013483	/nfs/dbraw/zinc/01/34/83/176013483.db2.gz	ANWBRNBFWNTBRG-VIFPVBQESA-N	-1	3	246.266	2.778	1	0		BFAFHM
[O-]c1cc2c(cc1Cl)CCN=C(C1CC1)N2	ZINC000045298383	183261291	/nfs/dbraw/zinc/26/12/91/183261291.db2.gz	AVRNGSQFNMEKSG-UHFFFAOYSA-N	-1	3	236.702	2.822	1	0		BFAFHM
C[C@@H](c1cc2ccccc2s1)N([O-])C=O	ZINC000005652351	176012989	/nfs/dbraw/zinc/01/29/89/176012989.db2.gz	YBBCKUHJPVFIJV-QMMMGPOBSA-N	-1	3	221.281	2.810	1	0		BFAFHM
Cc1cc2sc3n[n-]nc3c(=O)c2cc1C	ZINC000026382925	178309401	/nfs/dbraw/zinc/30/94/01/178309401.db2.gz	DYCKBTXJCZHOBH-UHFFFAOYSA-N	-1	3	231.280	2.514	1	0		BFAFHM
[O-]c1cccc(/C=C/c2cc(O)ccc2O)c1	ZINC000072116200	183287578	/nfs/dbraw/zinc/28/75/78/183287578.db2.gz	PPSQOMIGLYTONI-SNAWJCMRSA-N	-1	3	228.247	2.974	1	0		BFAFHM
Cc1ccc(/C=C2\C(=O)Nc3ccc([O-])cc32)[nH]1	ZINC000028823442	178356168	/nfs/dbraw/zinc/35/61/68/178356168.db2.gz	HLPLHWNYVYRUFE-SDQBBNPISA-N	-1	3	240.262	2.521	1	0		BFAFHM
[O-]c1cc(O)ccc1-c1noc2cc(O)ccc21	ZINC000013583538	183266392	/nfs/dbraw/zinc/26/63/92/183266392.db2.gz	NBTXJDAHLMMIGY-UHFFFAOYSA-N	-1	3	243.218	2.612	1	0	in-vivo	BFAFHM
C[C@H](c1cc2ccccc2s1)N([O-])C=O	ZINC000005652400	177031850	/nfs/dbraw/zinc/03/18/50/177031850.db2.gz	YBBCKUHJPVFIJV-MRVPVSSYSA-N	-1	3	221.281	2.810	1	0		BFAFHM
C[C@@H](c1cc2ccsc2s1)N([O-])C(N)=O	ZINC000026146871	176013422	/nfs/dbraw/zinc/01/34/22/176013422.db2.gz	MPKUBEKKAWQRAF-YFKPBYRVSA-N	-1	3	242.325	2.794	1	0		BFAFHM
C[C@H](c1csc2ccccc21)N([O-])C(N)=O	ZINC000013762715	177052089	/nfs/dbraw/zinc/05/20/89/177052089.db2.gz	AMMPGBYIKIGTPN-SSDOTTSWSA-N	-1	3	236.296	2.732	1	0		BFAFHM
CC1(C)C=Cc2c3ccc(=O)oc3cc([O-])c2O1	ZINC000013400121	560216409	/nfs/dbraw/zinc/21/64/09/560216409.db2.gz	OGTYTYOKQRCQEM-UHFFFAOYSA-N	-1	3	244.246	2.683	1	0	biogenic,in-vitro	BFAFHM
Cc1cc2ccc(Cl)cc2c2c1C(=O)[N-]C2=O	ZINC000045245512	178296612	/nfs/dbraw/zinc/29/66/12/178296612.db2.gz	WMSMUOWPYIMNGP-UHFFFAOYSA-N	-1	3	245.665	2.685	1	0		BFAFHM
CCOC(=O)c1cc2c3ccccc3nc-2c[n-]1	ZINC000100640623	170293566	/nfs/dbraw/zinc/29/35/66/170293566.db2.gz	QWWODAPIEHJFQG-UHFFFAOYSA-N	-1	3	240.262	2.844	1	0	in-vivo	BFAFHM
CCCC=C1OCC(=O)c2cccc([O-])c21	ZINC000103578710	560051841	/nfs/dbraw/zinc/05/18/41/560051841.db2.gz	MPUFGOPEVKRAGE-KPKJPENVSA-N	-1	3	218.252	2.746	1	0	biogenic,in-vitro	BFAFHM
Cc1cc([O-])cc(O)c1C(=O)Cc1ccccc1	ZINC000000481607	178200111	/nfs/dbraw/zinc/20/01/11/178200111.db2.gz	IYGIJUCMIPDPFQ-UHFFFAOYSA-N	-1	3	242.274	2.832	3	0		BFAFHM
Cc1cc[nH]c1/C=C1\C(=O)Nc2ccc([O-])cc21	ZINC000014962800	178309333	/nfs/dbraw/zinc/30/93/33/178309333.db2.gz	HKXFOQOUWIDTJP-XFFZJAGNSA-N	-1	3	240.262	2.521	1	0		BFAFHM
C/C(c1ccc[nH]1)=C1/C(=O)Nc2ccc([O-])cc21	ZINC000014962796	188105698	/nfs/dbraw/zinc/10/56/98/188105698.db2.gz	WJTAKRSFNCCLHP-JYRVWZFOSA-N	-1	3	240.262	2.603	1	0		BFAFHM
C[C@H](c1cc2ccsc2s1)N([O-])C(N)=O	ZINC000026146860	177032326	/nfs/dbraw/zinc/03/23/26/177032326.db2.gz	MPKUBEKKAWQRAF-RXMQYKEDSA-N	-1	3	242.325	2.794	1	0		BFAFHM
C[C@@H](c1csc2ccccc21)N([O-])C(N)=O	ZINC000013762717	176037253	/nfs/dbraw/zinc/03/72/53/176037253.db2.gz	AMMPGBYIKIGTPN-ZETCQYMHSA-N	-1	3	236.296	2.732	1	0		BFAFHM
C[C@H](c1ccccc1)C1CC(=O)C=C([O-])C1	ZINC000102918012	177037307	/nfs/dbraw/zinc/03/73/07/177037307.db2.gz	PHCHXVBFAARFQC-SNVBAGLBSA-N	-1	3	216.280	2.728	1	0		BFAFHM
O=C1C(c2ccccc2)=C([O-])[C@@H]2CC=CC[C@@H]12	ZINC000028759865	188465546	/nfs/dbraw/zinc/46/55/46/188465546.db2.gz	KDSHBWMZFPXLDX-VXGBXAGGSA-N	-1	3	226.275	2.504	1	0		BFAFHM
O=Cc1cc2c(cc1[O-])[nH]c1ccc(O)cc12	ZINC000013482914	571702360	/nfs/dbraw/zinc/70/23/60/571702360.db2.gz	RCFXXMDGOAHNQH-UHFFFAOYSA-N	-1	3	227.219	2.545	1	0	endogenous,in-man	BFAFHM