smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1	ZINC000011688251	581096403	/nfs/dbraw/zinc/09/64/03/581096403.db2.gz	VBZAORRCTGPSQY-ZWKOTPCHSA-N	-2	3	384.432	1.943	1	30		GDEFHL
O=C([O-])[C@H](CNC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1)Cc1ccccc1	ZINC000011688377	204350764	/nfs/dbraw/zinc/35/07/64/204350764.db2.gz	PQNKMCSJJNDIIH-ROUUACIJSA-N	-2	3	384.432	1.801	1	30		GDEFHL
C[C@@H]([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[O-]	ZINC000010450344	204334661	/nfs/dbraw/zinc/33/46/61/204334661.db2.gz	CSAFQHHGNGUQOL-UWTATZPHSA-N	-2	3	386.192	1.225	1	30		GDEFHL
O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1	ZINC000011688250	581096431	/nfs/dbraw/zinc/09/64/31/581096431.db2.gz	VBZAORRCTGPSQY-QZTJIDSGSA-N	-2	3	384.432	1.943	1	30		GDEFHL
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000029571018	207364721	/nfs/dbraw/zinc/36/47/21/207364721.db2.gz	ZWRRMDJGTFYWGL-WBMJQRKESA-N	-2	3	375.425	1.838	1	30		GDEFHL
CCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095590725	208236759	/nfs/dbraw/zinc/23/67/59/208236759.db2.gz	AZKPHAACXOXPFR-UHFFFAOYSA-O	-3	3	385.314	1.138	1	30	in-vitro	GDEFHL
O=C([O-])C1=CC(=CC=N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000085643547	291111940	/nfs/dbraw/zinc/11/19/40/291111940.db2.gz	CQWNOOILWHAPES-BCMDPNSZSA-N	-3	3	396.379	1.313	1	30	biogenic,in-vitro	GDEFHL
N#Cc1ccc2cc3c(=O)[n-]c(=O)nc-3n(-c3cccc(-c4nnn[n-]4)c3)c2c1	ZINC000096282687	211330412	/nfs/dbraw/zinc/33/04/12/211330412.db2.gz	NDVGJTJBERLSGL-UHFFFAOYSA-N	-2	3	382.343	1.231	1	30	in-vitro	GDEFHL
N#Cc1ccc2cc3c(=O)[n-]c(=O)nc-3n(-c3cccc(-c4nn[n-]n4)c3)c2c1	ZINC000096282687	211330415	/nfs/dbraw/zinc/33/04/15/211330415.db2.gz	NDVGJTJBERLSGL-UHFFFAOYSA-N	-2	3	382.343	1.231	1	30	in-vitro	GDEFHL
O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1	ZINC000011688252	581096414	/nfs/dbraw/zinc/09/64/14/581096414.db2.gz	VBZAORRCTGPSQY-ROUUACIJSA-N	-2	3	384.432	1.943	1	30		GDEFHL
CCCCCCC#Cc1ccc[n+](CC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000049881604	222003223	/nfs/dbraw/zinc/00/32/23/222003223.db2.gz	AGSIJQACQLIDMB-UHFFFAOYSA-O	-3	3	376.306	1.978	1	30		GDEFHL
CC(C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[O-]	ZINC000010450321	221104179	/nfs/dbraw/zinc/10/41/79/221104179.db2.gz	HHJKMUMZRIIHIU-RXMQYKEDSA-N	-2	3	376.303	1.581	1	30		GDEFHL
CN(C(=O)[C@H](CC(=O)N[O-])Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029319331	221691921	/nfs/dbraw/zinc/69/19/21/221691921.db2.gz	GHDOLEQBVCTJMN-ROUUACIJSA-N	-2	3	384.432	1.895	1	30		GDEFHL
O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1	ZINC000001533179	212248847	/nfs/dbraw/zinc/24/88/47/212248847.db2.gz	VBZAORRCTGPSQY-MSOLQXFVSA-N	-2	3	384.432	1.943	1	30		GDEFHL
CC(C)CCNC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)([O-])[O-]	ZINC000013779391	212097465	/nfs/dbraw/zinc/09/74/65/212097465.db2.gz	PHUXKOLFTVYGOR-INIZCTEOSA-N	-2	3	388.351	1.962	1	30		GDEFHL
O=C([O-])c1ccc(S(=O)(=O)N(CCC(=O)N[O-])CCc2ccccc2)cc1	ZINC000095560571	222354881	/nfs/dbraw/zinc/35/48/81/222354881.db2.gz	IJWCRUOYPUTXCM-UHFFFAOYSA-N	-2	3	392.433	1.514	1	30		GDEFHL
CS(=O)(=O)[N-]c1cncc(C#Cc2cc(Cl)ccc2OCC(=O)[O-])c1	ZINC000073169124	222268142	/nfs/dbraw/zinc/26/81/42/222268142.db2.gz	WDZKFASIUGKPQH-UHFFFAOYSA-N	-2	3	380.809	1.970	1	30		GDEFHL
C[C@H]([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[O-]	ZINC000010450345	221104357	/nfs/dbraw/zinc/10/43/57/221104357.db2.gz	CSAFQHHGNGUQOL-REOHCLBHSA-N	-2	3	386.192	1.225	1	30		GDEFHL
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000013779378	212098409	/nfs/dbraw/zinc/09/84/09/212098409.db2.gz	BIWWMKYCSUXSIM-HOTGVXAUSA-N	-3	3	396.380	1.137	1	30		GDEFHL