smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]/N=C(\CSc1ccccc1)c1cccc(Br)c1	ZINC000095572324	185380452	/nfs/dbraw/zinc/38/04/52/185380452.db2.gz	MMYKUGCCHDDYTD-JQIJEIRASA-N	-1	1	322.227	4.420	1	30		DIEFMM
CC(=N[N-]c1nc2ccccc2o1)c1cc2ccccc2cn1	ZINC000003993849	181060819	/nfs/dbraw/zinc/06/08/19/181060819.db2.gz	CQYWNLWTQUEJRG-CIAFOILYSA-N	-1	1	302.337	4.212	1	30		DIEFMM
CCCc1c(O)ccc(C(=O)/C=C/c2ccc(F)cc2)c1[O-]	ZINC000073199997	191291452	/nfs/dbraw/zinc/29/14/52/191291452.db2.gz	PGLSHPQGMOHHIA-UXBLZVDNSA-N	-1	1	300.329	4.086	1	30		DIEFMM
CCCOc1ccc([O-])c(C(=O)/C=C/c2ccc(C)s2)c1	ZINC000040917792	183148304	/nfs/dbraw/zinc/14/83/04/183148304.db2.gz	NSOLDZXNJWTCNF-VQHVLOKHSA-N	-1	1	302.395	4.447	1	30		DIEFMM
C=CC(C)(C)c1c([O-])c2c(c3ccc(=O)oc31)OC(C)(C)C=C2	ZINC000033833081	290928087	/nfs/dbraw/zinc/92/80/87/290928087.db2.gz	FREXEHTVBRSRGJ-UHFFFAOYSA-N	-1	1	312.365	4.146	1	30	biogenic,in-vitro	DIEFMM
CC1(C)C=Cc2c([O-])ccc(C(=O)/C=C/c3ccc(O)cc3)c2O1	ZINC000043073255	183334661	/nfs/dbraw/zinc/33/46/61/183334661.db2.gz	YXOJEXDPGBEHQJ-WEVVVXLNSA-N	-1	1	322.360	4.178	1	30		DIEFMM
O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(C(F)(F)F)cc1	ZINC000096917535	185391457	/nfs/dbraw/zinc/39/14/57/185391457.db2.gz	LPJLDUOLDKLYGN-YRNVUSSQSA-N	-1	1	320.266	4.070	1	30		DIEFMM
CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)[C@H]3C(=O)C([O-])=C(C)C(=O)[C@@]213	ZINC000005544387	181255430	/nfs/dbraw/zinc/25/54/30/181255430.db2.gz	QPBAITGYXGUCGL-FKOZTGTQSA-N	-1	1	316.441	4.241	1	30		DIEFMM
C=CCc1c([O-])ccc2c1O[C@@H](c1ccc(Cl)cc1)CC2=O	ZINC000040977293	183154577	/nfs/dbraw/zinc/15/45/77/183154577.db2.gz	WJDGXZMFRQUZLL-QGZVFWFLSA-N	-1	1	314.768	4.481	1	30		DIEFMM
C=CCc1ccc(O)c(-c2cc(/C=N/[O-])c(O)c(CC=C)c2)c1	ZINC000043061865	183333717	/nfs/dbraw/zinc/33/37/17/183333717.db2.gz	CZBICZJPDCFPRY-UDWIEESQSA-N	-1	1	309.365	4.030	1	30		DIEFMM
O=C1c2cc(O)c([O-])cc2C/C1=C\c1cc(Cl)cc(Cl)c1	ZINC000027553120	182476411	/nfs/dbraw/zinc/47/64/11/182476411.db2.gz	LXOZMTFIQRFHFH-BCTAIJSYSA-N	-1	1	321.159	4.227	1	30		DIEFMM
C=CCc1c([O-])ccc2c1O[C@H](c1ccc(Cl)cc1)CC2=O	ZINC000040977292	183154351	/nfs/dbraw/zinc/15/43/51/183154351.db2.gz	WJDGXZMFRQUZLL-KRWDZBQOSA-N	-1	1	314.768	4.481	1	30		DIEFMM
C=CCc1cc(/C=N\[O-])c(O)c(-c2ccc(O)c(CC=C)c2)c1	ZINC000042924203	183319118	/nfs/dbraw/zinc/31/91/18/183319118.db2.gz	UJBKXYUPLWDYKQ-NDENLUEZSA-N	-1	1	309.365	4.030	1	30		DIEFMM
Cc1c([O-])c(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1O	ZINC000082150915	192362301	/nfs/dbraw/zinc/36/23/01/192362301.db2.gz	LHOFDMLYVKLJJS-XBXARRHUSA-N	-1	1	322.282	4.321	1	30		DIEFMM
CC(=N[N-]c1nc2ccccc2o1)c1ccc2ccccc2n1	ZINC000005831265	181287660	/nfs/dbraw/zinc/28/76/60/181287660.db2.gz	CBBXHKJWAJOIPF-CIAFOILYSA-N	-1	1	302.337	4.212	1	30		DIEFMM
O=C1O[C@H](c2ccccc2)CC([O-])=C1SCc1ccccc1	ZINC000006580307	181356103	/nfs/dbraw/zinc/35/61/03/181356103.db2.gz	LKBLOKNAYJBBHN-INIZCTEOSA-N	-1	1	312.390	4.378	1	30		DIEFMM
CC(C)C1=C([O-])C(=O)C2=C(C=C3[C@]2(C)CCCC3(C)C)C1=O	ZINC000033830676	560088740	/nfs/dbraw/zinc/08/87/40/560088740.db2.gz	VWUGNBHOYLFPRZ-IBGZPJMESA-N	-1	1	300.398	4.059	1	30	biogenic,in-vitro	DIEFMM
CC(=O)C1=C([O-])C(=Cc2ccc(Cl)cc2Cl)SC1=O	ZINC000096900953	185390582	/nfs/dbraw/zinc/39/05/82/185390582.db2.gz	AGITYMJGRHGURI-WMZJFQQLSA-N	-1	1	315.177	4.009	1	30		DIEFMM