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(N[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[O-]	ZINC000223812713	395856512	/nfs/dbraw/zinc/85/65/12/395856512.db2.gz	HVYBQFVWPFEDEN-UHFFFAOYSA-N	-2	3	320.092	0.538	40	30		DCEBHL
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000572717855	417463991	/nfs/dbraw/zinc/46/39/91/417463991.db2.gz	GYJSZGDCPAFIFU-YUMQZZPRSA-N	-2	3	318.376	0.711	40	30		DCEBHL
CC(=Nn1c([O-])cc(=O)[n-]c1=S)c1ccc([N+](=O)[O-])cc1	ZINC000005620784	181264345	/nfs/dbraw/zinc/26/43/45/181264345.db2.gz	QDHGRPAYQUNJRF-VGOFMYFVSA-N	-2	3	306.303	0.952	40	30		DCEBHL
Cc1cc(C)c(N=Nc2c([O-])[nH]c(=S)[n-]c2=O)c([N+](=O)[O-])c1	ZINC000408719207	239275579	/nfs/dbraw/zinc/27/55/79/239275579.db2.gz	AHJHIIHHOXIGFI-UHFFFAOYSA-N	-2	3	321.318	0.510	40	30		DCEBHL
Cc1cccc(N=Nc2c([O-])n(C)c(=O)n(C)c2=O)c1C(=O)[O-]	ZINC000038290767	395731751	/nfs/dbraw/zinc/73/17/51/395731751.db2.gz	UHNAOLUCBYEBNV-UHFFFAOYSA-N	-2	3	318.289	0.512	40	30		DCEBHL
Cc1cc(C)c([N-]N=C2C(=O)[N-]C(=O)NC2=O)c([N+](=O)[O-])c1	ZINC000408720513	301190188	/nfs/dbraw/zinc/19/01/88/301190188.db2.gz	SGGFNMRCISYGBJ-UHFFFAOYSA-N	-2	3	305.250	0.346	40	30		DCEBHL
O=C1[N-]C(=O)C(=N[N-]c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1	ZINC000408730205	397358309	/nfs/dbraw/zinc/35/83/09/397358309.db2.gz	GBIARRNMDRSPKX-UHFFFAOYSA-N	-2	3	311.641	0.382	40	30		DCEBHL
CCOC(=O)[N-]C(=O)C(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000005459404	181246406	/nfs/dbraw/zinc/24/64/06/181246406.db2.gz	QRCSNHDLLZUIOU-YVLHZVERSA-N	-2	3	304.262	0.949	40	30		DCEBHL
CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000005459404	181246408	/nfs/dbraw/zinc/24/64/08/181246408.db2.gz	QRCSNHDLLZUIOU-YVLHZVERSA-N	-2	3	304.262	0.949	40	30		DCEBHL
Cc1nn(C)c(C)c1/C=C/C(=O)c1c([O-])[n-]c(=O)sc1=O	ZINC000036621287	395723782	/nfs/dbraw/zinc/72/37/82/395723782.db2.gz	GUEGOICVSZIBQW-SNAWJCMRSA-N	-2	3	307.331	0.749	40	30		DCEBHL