smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)CCC(=O)[O-])cc1)C(F)(F)F	ZINC000003099828	203985188	/nfs/dbraw/zinc/98/51/88/203985188.db2.gz	XJCNYGZPWBHUJQ-MRXNPFEDSA-N	-2	3	391.342	2.217	40	0		GEABHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1N1CCCC1=O	ZINC000020491853	570263055	/nfs/dbraw/zinc/26/30/55/570263055.db2.gz	MPVVXCOZVNOMJX-UHFFFAOYSA-N	-2	3	390.417	2.321	40	0		GEABHL
O=C([O-])COc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cc1	ZINC000012122041	221154983	/nfs/dbraw/zinc/15/49/83/221154983.db2.gz	BISQFJBWKVLRMD-UHFFFAOYSA-N	-2	3	392.415	2.266	40	0		GEABHL
CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2ccccc2[N-]S(C)(=O)=O)n1	ZINC000019522548	570995399	/nfs/dbraw/zinc/99/53/99/570995399.db2.gz	WAFDCUSVPJEWPD-HNNXBMFYSA-N	-2	3	390.465	2.093	40	0		GEABHL
CCOCCc1c([O-])nc(SCC(=O)N[C@@H](C)c2ccccc2)[n-]c1=O	ZINC000013454022	570847606	/nfs/dbraw/zinc/84/76/06/570847606.db2.gz	YZXOAHMDSDJQPW-LBPRGKRZSA-N	-2	3	377.466	2.024	40	0		GEABHL
Cc1cc(=O)[n-]c(CN(c2ccc(C(=O)[O-])cc2)S(=O)(=O)c2ccccc2)n1	ZINC000222557430	570414432	/nfs/dbraw/zinc/41/44/32/570414432.db2.gz	OMIWJHHMAAANRZ-UHFFFAOYSA-N	-2	3	399.428	2.172	40	0		GEABHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c[nH]1	ZINC000032553891	207396812	/nfs/dbraw/zinc/39/68/12/207396812.db2.gz	DFFDNFUEALGRGH-UHFFFAOYSA-N	-2	3	393.808	2.310	40	0		GEABHL
CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2ccccc2[N-]S(C)(=O)=O)n1	ZINC000019522549	207126195	/nfs/dbraw/zinc/12/61/95/207126195.db2.gz	WAFDCUSVPJEWPD-OAHLLOKOSA-N	-2	3	390.465	2.093	40	0		GEABHL
COc1ccc([C@H](CC(=O)c2cccs2)c2c([O-])[nH]c(=S)[n-]c2=O)cc1	ZINC000001087400	206350703	/nfs/dbraw/zinc/35/07/03/206350703.db2.gz	IWQBKBROBRWEJO-LBPRGKRZSA-N	-2	3	388.470	2.260	40	0		GEABHL
COc1ccc(C(=O)[C@@H](Cc2c([O-])[nH]c(=O)[n-]c2=O)c2ccc(OC)cc2)cc1	ZINC000001630314	206386733	/nfs/dbraw/zinc/38/67/33/206386733.db2.gz	NSAFTZIBCBPRTA-INIZCTEOSA-N	-2	3	396.399	2.043	40	0		GEABHL
CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])N(Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000257292933	209069237	/nfs/dbraw/zinc/06/92/37/209069237.db2.gz	QNNHJVBQNGFOEK-QYZOEREBSA-N	-2	3	382.416	2.290	40	0		GEABHL
COc1ccc(C(=O)[C@H](Cc2c([O-])[nH]c(=O)[n-]c2=O)c2ccc(OC)cc2)cc1	ZINC000006411347	570479495	/nfs/dbraw/zinc/47/94/95/570479495.db2.gz	NSAFTZIBCBPRTA-MRXNPFEDSA-N	-2	3	396.399	2.043	40	0		GEABHL
COc1ccc([C@@H](CC(=O)c2cccs2)c2c([O-])[nH]c(=S)[n-]c2=O)cc1	ZINC000001087399	209300011	/nfs/dbraw/zinc/30/00/11/209300011.db2.gz	IWQBKBROBRWEJO-GFCCVEGCSA-N	-2	3	388.470	2.260	40	0		GEABHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c[nH]1	ZINC000032553890	570511412	/nfs/dbraw/zinc/51/14/12/570511412.db2.gz	VHMAWMLHEUULBC-UHFFFAOYSA-N	-2	3	375.431	2.015	40	0		GEABHL
O=C(CCc1c(=O)[n-]c(=O)[nH]c1[O-])Nc1ccc(Oc2ccc(F)cc2)cc1	ZINC000100785250	570278060	/nfs/dbraw/zinc/27/80/60/570278060.db2.gz	APWUEARRPKBDCO-UHFFFAOYSA-N	-2	3	385.351	2.319	40	0		GEABHL
O=C([O-])c1ccc(CN2C[C@@H](F)[C@@H](OCC(=O)Nc3ccccc3[O-])C2)cc1	ZINC000096111977	222382314	/nfs/dbraw/zinc/38/23/14/222382314.db2.gz	JYLKZHYSTQFGAL-QAPCUYQASA-N	-2	3	388.395	2.268	40	0	biogenic,in-vitro	GEABHL
COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC	ZINC000008029901	221023578	/nfs/dbraw/zinc/02/35/78/221023578.db2.gz	FNIBITXIJQGHRR-UHFFFAOYSA-N	-2	3	383.397	2.062	40	0		GEABHL
CCOCCc1c([O-])nc(SCC(=O)N[C@H](C)c2ccccc2)[n-]c1=O	ZINC000013454026	221268841	/nfs/dbraw/zinc/26/88/41/221268841.db2.gz	YZXOAHMDSDJQPW-GFCCVEGCSA-N	-2	3	377.466	2.024	40	0		GEABHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1/C=C/C(=O)[O-]	ZINC000005392682	570253820	/nfs/dbraw/zinc/25/38/20/570253820.db2.gz	ARMQRBDVCHNLGK-RMKNXTFCSA-N	-3	3	377.374	2.292	40	0		GEABHL
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc([O-])c(Br)c1	ZINC000006971006	531534491	/nfs/dbraw/zinc/53/44/91/531534491.db2.gz	BRCUKSIIGFXMPU-IZZDOVSWSA-N	-2	3	388.177	2.216	40	0		GEABHL
CCOC(=O)c1[n-]c(C(=O)[O-])c(C(=O)OCc2ccccc2)c1CCC(=O)[O-]	ZINC000005796759	570273744	/nfs/dbraw/zinc/27/37/44/570273744.db2.gz	PZMUOVYDWYRUGR-UHFFFAOYSA-N	-3	3	389.360	2.264	40	0		GEABHL