smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005273572	556043235	/nfs/dbraw/zinc/04/32/35/556043235.db2.gz	NWFLONJLUJYCNS-ROUUACIJSA-N	-1	1	426.473	-0.399	50	0		IBAAMM
N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005273573	568837123	/nfs/dbraw/zinc/83/71/23/568837123.db2.gz	NWFLONJLUJYCNS-MSOLQXFVSA-N	-1	1	426.473	-0.399	50	0		IBAAMM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005273574	568837014	/nfs/dbraw/zinc/83/70/14/568837014.db2.gz	NWFLONJLUJYCNS-ZWKOTPCHSA-N	-1	1	426.473	-0.399	50	0		IBAAMM
N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005273575	568837111	/nfs/dbraw/zinc/83/71/11/568837111.db2.gz	NWFLONJLUJYCNS-QZTJIDSGSA-N	-1	1	426.473	-0.399	50	0		IBAAMM
COC(CNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)OC	ZINC000006296579	562946622	/nfs/dbraw/zinc/94/66/22/562946622.db2.gz	NWAADAOARKXBRL-UHFFFAOYSA-N	-1	1	425.463	-0.102	50	0		IBAAMM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1nn[n-]n1	ZINC000008637030	556194923	/nfs/dbraw/zinc/19/49/23/556194923.db2.gz	GHDZPPVMJHNNEZ-APIJFGDWSA-N	-1	1	430.370	-0.838	50	0		IBAAMM
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)c1nn[n-]n1	ZINC000008637031	556194960	/nfs/dbraw/zinc/19/49/60/556194960.db2.gz	GHDZPPVMJHNNEZ-YJNKXOJESA-N	-1	1	430.370	-0.838	50	0		IBAAMM
Cc1ncc(CSC[C@@H](N)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])c(CO)c1O	ZINC000008789137	569475910	/nfs/dbraw/zinc/47/59/10/569475910.db2.gz	AVZFBRZDIWWBRR-DFBGVHRSSA-N	-1	1	440.522	-0.271	50	0	biogenic	IBAAMM
COCCN1C(=O)/C(=C/NNC(=O)CSC(=S)N2CCCC2)C(=O)[N-]C1=S	ZINC000013149319	569289571	/nfs/dbraw/zinc/28/95/71/569289571.db2.gz	KGOMZUVBPIPLSW-CSKARUKUSA-N	-1	1	431.565	-0.505	50	0		IBAAMM
CCN(C(=O)CSc1nc(N)cc(=O)[n-]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000016695418	563021039	/nfs/dbraw/zinc/02/10/39/563021039.db2.gz	LDJCAEOTEXMZSA-UHFFFAOYSA-N	-1	1	443.489	-0.022	50	0		IBAAMM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000020033667	556969389	/nfs/dbraw/zinc/96/93/89/556969389.db2.gz	LHKYKFQOIWBPHZ-UHFFFAOYSA-N	-1	1	428.492	-0.365	50	0		IBAAMM
COC(CNC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2c1=O)OC	ZINC000020754050	522534946	/nfs/dbraw/zinc/53/49/46/522534946.db2.gz	CMULGEGSXUISEJ-UHFFFAOYSA-N	-1	1	438.506	-0.187	50	0		IBAAMM
CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1	ZINC000038741164	569468623	/nfs/dbraw/zinc/46/86/23/569468623.db2.gz	HFLKUGCJUVYBLH-UHFFFAOYSA-N	-1	1	439.436	-0.375	50	0		IBAAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nnn(CC(N)=O)c3=O)cc2)cc1OC	ZINC000077100198	569585356	/nfs/dbraw/zinc/58/53/56/569585356.db2.gz	PFLXYIAGEQEAAV-UHFFFAOYSA-N	-1	1	434.434	-0.268	50	0		IBAAMM
CNC(=O)Cn1nnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)cc2)c1=O	ZINC000077100220	524076523	/nfs/dbraw/zinc/07/65/23/524076523.db2.gz	HUVGBBHBQKYZGJ-UHFFFAOYSA-N	-1	1	446.445	-0.238	50	0		IBAAMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000089984898	569169954	/nfs/dbraw/zinc/16/99/54/569169954.db2.gz	MLKIZSYNLGOUKK-UHFFFAOYSA-N	-1	1	444.491	-0.054	50	0		IBAAMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000095981286	569377959	/nfs/dbraw/zinc/37/79/59/569377959.db2.gz	RFXLCQQZJNOMLR-UHFFFAOYSA-N	-1	1	442.475	-0.702	50	0		IBAAMM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000101373758	557280687	/nfs/dbraw/zinc/28/06/87/557280687.db2.gz	PZWKOWDGSZZCJS-MRXNPFEDSA-N	-1	1	427.523	-0.518	50	0		IBAAMM
O=c1occ(CN2CCOCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000101373760	557280773	/nfs/dbraw/zinc/28/07/73/557280773.db2.gz	PZWKOWDGSZZCJS-INIZCTEOSA-N	-1	1	427.523	-0.518	50	0		IBAAMM