smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC001306709640	1069443888	/nfs/dbraw/zinc/44/38/88/1069443888.db2.gz	FDOIYWFSCGGWNZ-GOSISDBHSA-N	-2	1	457.556	3.510	20	0		JHADML
C[C@H](C1CCCCC1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC001306834487	1069650314	/nfs/dbraw/zinc/65/03/14/1069650314.db2.gz	GLKAISDSWGDSNH-OAHLLOKOSA-N	-2	1	457.556	3.510	20	0		JHADML
O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(F)(F)F	ZINC001307855939	1070213141	/nfs/dbraw/zinc/21/31/41/1070213141.db2.gz	FDVVWWUFAGLSKT-ZDUSSCGKSA-N	-2	1	452.816	3.762	20	0		JHADML
CC(C)C[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC001306709643	1069443906	/nfs/dbraw/zinc/44/39/06/1069443906.db2.gz	FDOIYWFSCGGWNZ-SFHVURJKSA-N	-2	1	457.556	3.510	20	0		JHADML
O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(F)(F)F	ZINC001307855938	1070212973	/nfs/dbraw/zinc/21/29/73/1070212973.db2.gz	FDVVWWUFAGLSKT-CYBMUJFWSA-N	-2	1	452.816	3.762	20	0		JHADML
C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC001306834486	1069650381	/nfs/dbraw/zinc/65/03/81/1069650381.db2.gz	GLKAISDSWGDSNH-HNNXBMFYSA-N	-2	1	457.556	3.510	20	0		JHADML
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1c([O-])cc(Br)cc1Cl	ZINC001306836818	1069651712	/nfs/dbraw/zinc/65/17/12/1069651712.db2.gz	ACRNBSMMZCVSLL-UHFFFAOYSA-N	-2	1	454.733	3.836	20	0		JHADML
CCCCCC(C)(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1	ZINC001306705968	1069441346	/nfs/dbraw/zinc/44/13/46/1069441346.db2.gz	DCTLRVGPTCFEKH-UHFFFAOYSA-N	-2	1	459.572	3.806	20	0		JHADML