smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H]1O[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1OC(C)=O	ZINC000014684622	560224357	/nfs/dbraw/zinc/22/43/57/560224357.db2.gz	LAOQDEYIAWLOHQ-HYWXBTQMSA-N	0	2	518.427	1.242	1	10	biogenic,in-vitro	KDCFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1	ZINC000028388422	561921676	/nfs/dbraw/zinc/92/16/76/561921676.db2.gz	XTLIGSXCHIJPDK-UHFFFAOYSA-N	0	2	575.548	1.995	1	10		KDCFLN
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1NC(=O)C(F)(F)F	ZINC000028768528	561960469	/nfs/dbraw/zinc/96/04/69/561960469.db2.gz	YJMXHLDXWCWEAA-LJXAURSXSA-N	0	2	581.496	1.143	1	10		KDCFLN
C[C@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1NC(=O)C(F)(F)F	ZINC000028768530	561960452	/nfs/dbraw/zinc/96/04/52/561960452.db2.gz	YJMXHLDXWCWEAA-ORKLNICQSA-N	0	2	581.496	1.143	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000029548755	562030505	/nfs/dbraw/zinc/03/05/05/562030505.db2.gz	PXKNMUUIFRQWIN-VZBJLAIJSA-N	0	2	689.539	1.356	1	10		KDCFLN
COc1c2c(c(O)c3c1C(=O)c1c(O)c(C)c(O)cc1C3=O)-c1c(cc3cnn(C(=N)N)c(=O)c3c1O)CC2	ZINC000043120223	562646118	/nfs/dbraw/zinc/64/61/18/562646118.db2.gz	WAZNUZQJDGMWMQ-UHFFFAOYSA-N	0	2	528.477	1.818	1	10		KDCFLN
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O	ZINC000043122179	562646225	/nfs/dbraw/zinc/64/62/25/562646225.db2.gz	MWGFKZGIAGFVOI-LBPRGKRZSA-N	0	2	516.459	1.957	1	10		KDCFLN
CC(=O)OC[C@H]1O[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000072142379	562729544	/nfs/dbraw/zinc/72/95/44/562729544.db2.gz	GTDQGECQTNEMED-CEHTWSOJSA-N	0	2	632.527	1.744	1	10		KDCFLN
CO[C@H]1[C@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)[O-])c3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@@H]([NH+](C)C)[C@@H]2O)O[C@@H](C)[C@H](OC)[C@@]1(C)OC	ZINC000095540434	562755748	/nfs/dbraw/zinc/75/57/48/562755748.db2.gz	HPSWLXWDFWBBLR-YFICQLNDSA-N	0	2	773.785	1.050	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1O[C@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]1O	ZINC000095553462	562760978	/nfs/dbraw/zinc/76/09/78/562760978.db2.gz	PFNGMTWXFIIUMV-OWRUBSHFSA-N	0	2	609.506	1.359	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1O[C@H](C)[C@@H](NC(=O)C(F)(F)F)[C@H]1O	ZINC000095607331	562782737	/nfs/dbraw/zinc/78/27/37/562782737.db2.gz	PFNGMTWXFIIUMV-USTQPJJVSA-N	0	2	609.506	1.359	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CNC(=O)c1ccccc1)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169301914	562852978	/nfs/dbraw/zinc/85/29/78/562852978.db2.gz	MBGRMTISJIUCQT-HAHFQIPKSA-N	0	2	800.692	1.702	1	10		KDCFLN
CC(=O)OC[C@H]1O[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000169350681	562862907	/nfs/dbraw/zinc/86/29/07/562862907.db2.gz	GTDQGECQTNEMED-UQISNNMSSA-N	0	2	632.527	1.744	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)[C@H](CCSC)NC(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000253636105	562882307	/nfs/dbraw/zinc/88/23/07/562882307.db2.gz	OCYPQURUDMVASQ-FMUUALTASA-N	0	2	812.769	1.530	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)[C@H](CCSC)NC(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	ZINC000253636109	562882304	/nfs/dbraw/zinc/88/23/04/562882304.db2.gz	OCYPQURUDMVASQ-SDGKJDLTSA-N	0	2	812.769	1.530	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)[C@H](CCSC)NC(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O1	ZINC000253636112	562882310	/nfs/dbraw/zinc/88/23/10/562882310.db2.gz	OCYPQURUDMVASQ-SEGSKOKUSA-N	0	2	812.769	1.530	1	10		KDCFLN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)[C@H](CCSC)NC(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O1	ZINC000253636116	562882314	/nfs/dbraw/zinc/88/23/14/562882314.db2.gz	OCYPQURUDMVASQ-WHQMQWPZSA-N	0	2	812.769	1.530	1	10		KDCFLN
O=C1NC(=O)C(=Cc2cn(CC(O)Cn3cc(C=C4C(=O)NC(=O)NC4=O)c4ccccc43)c3ccccc23)C(=O)N1	ZINC000653746561	562910389	/nfs/dbraw/zinc/91/03/89/562910389.db2.gz	CFDBKFURVKAYNN-UHFFFAOYSA-N	0	2	566.530	1.156	1	10		KDCFLN
COc1cc2c3c(n(CCC[NH+]4CCOCC4)c(=O)c2cc1OS(=O)(=O)[O-])-c1cc2c(cc1C3=O)OCO2	ZINC000653859657	562915941	/nfs/dbraw/zinc/91/59/41/562915941.db2.gz	IOEVWBKRJHWRHV-UHFFFAOYSA-N	0	2	544.538	1.854	1	10		KDCFLN