smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1C(=O)NC(=N)N[C@H]1c1ccc(N(C)C)cc1	ZINC000169353619	197745045	/nfs/dbraw/zinc/74/50/45/197745045.db2.gz	SSZIYIRCDSZWFP-RYUDHWBXSA-N	0	0	304.350	0.418	1	10		DCCFRN
Cn1c2ncc3c(c2c(=O)n(C)c1=O)C(=O)c1ccccc1C3=O	ZINC000040865639	183144669	/nfs/dbraw/zinc/14/46/69/183144669.db2.gz	FSIFYHUNCBXYLQ-UHFFFAOYSA-N	0	0	321.292	0.408	1	10		DCCFRN
COc1ccc(Cn2nnc3c2C(=O)c2cnncc2C3=O)cc1	ZINC000029123165	182551909	/nfs/dbraw/zinc/55/19/09/182551909.db2.gz	ZPZNNDFWFGCXMR-UHFFFAOYSA-N	0	0	321.296	0.900	1	10		DCCFRN
O=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2ncnn12	ZINC000096928411	185392361	/nfs/dbraw/zinc/39/23/61/185392361.db2.gz	VYDSSFUSFWDCLK-LCYFTJDESA-N	0	0	314.370	0.535	1	10		DCCFRN
O=C1c2cc(CNC[C@@H](O)CO)oc2C(=O)c2ccccc21	ZINC000038818187	183010151	/nfs/dbraw/zinc/01/01/51/183010151.db2.gz	HQQXCEOROSLGAX-SECBINFHSA-N	0	0	301.298	0.498	1	10		DCCFRN
O=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2n1CCN=2	ZINC000096928401	185392266	/nfs/dbraw/zinc/39/22/66/185392266.db2.gz	OFUDZXBVOJSPFY-KAMYIIQDSA-N	0	0	315.398	0.208	1	10		DCCFRN
COC(=O)CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)OC	ZINC000042920798	183318124	/nfs/dbraw/zinc/31/81/24/183318124.db2.gz	KXNDPWBGLDZZSF-UHFFFAOYSA-N	0	0	308.334	0.427	1	10		DCCFRN
N#[N+]C(=C([O-])CN1CCCC1=O)S(=O)(=O)c1ccccc1	ZINC000005836997	181288103	/nfs/dbraw/zinc/28/81/03/181288103.db2.gz	GMKSEPSFZTUICR-UHFFFAOYSA-N	0	0	307.331	0.280	1	10		DCCFRN
NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	ZINC000096908204	185390633	/nfs/dbraw/zinc/39/06/33/185390633.db2.gz	CQBHSRLUQDYPBU-UHFFFAOYSA-N	0	0	303.295	0.815	1	10	in-vivo	DCCFRN
CN1CCN(Cc2ccc3c(c2)C(=O)c2nccnc2C3=O)CC1	ZINC000028238959	182515921	/nfs/dbraw/zinc/51/59/21/182515921.db2.gz	XNMDUPXJVQZMMF-UHFFFAOYSA-N	0	0	322.368	0.999	1	10		DCCFRN
O=C1c2cc(CNC[C@H](O)CO)oc2C(=O)c2ccccc21	ZINC000038818186	183009876	/nfs/dbraw/zinc/00/98/76/183009876.db2.gz	HQQXCEOROSLGAX-VIFPVBQESA-N	0	0	301.298	0.498	1	10		DCCFRN
O=C1NC(=S)NC(=O)C1=CNNC(=S)Nc1ccccc1	ZINC000096930159	185392201	/nfs/dbraw/zinc/39/22/01/185392201.db2.gz	WLNANLBGOPNLGX-UHFFFAOYSA-N	0	0	321.387	0.733	1	10		DCCFRN
CC1(C)OC(=O)C(=CNn2cnc3ccccc3c2=O)C(=O)O1	ZINC000018355095	182101896	/nfs/dbraw/zinc/10/18/96/182101896.db2.gz	CNLGNETXZVIYOZ-UHFFFAOYSA-N	0	0	315.285	0.660	3	10		DCCFRN
Cc1cn([C@@H]2O[C@H](CF)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O	ZINC000013585650	181865566	/nfs/dbraw/zinc/86/55/66/181865566.db2.gz	OXUAVNYDCXRONO-FDDDBJFASA-N	0	0	301.253	0.977	1	10		DCCFRN