smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C)n(Cc2ccco2)c2ncn3c4ccccc4[nH+]c3c12	ZINC000006665657	181367289	/nfs/dbraw/zinc/36/72/89/181367289.db2.gz	KRSUQASNOCRNGI-UHFFFAOYSA-N	1	2	316.364	4.095	50	5		DIBALO
CCOc1c(C)[nH+]c(C)c(OCC)c1-c1cccc([N+](=O)[O-])c1	ZINC000000088498	563524077	/nfs/dbraw/zinc/52/40/77/563524077.db2.gz	MSWMWJBTHOKCFH-UHFFFAOYSA-N	1	2	316.357	4.071	50	5		DIBALO
Nc1ccccc1-c1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000000044910	563498275	/nfs/dbraw/zinc/49/82/75/563498275.db2.gz	BCEFYZTUVNOBOY-UHFFFAOYSA-N	1	2	310.360	4.285	50	5		DIBALO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1ccccc1F	ZINC000075286680	563862700	/nfs/dbraw/zinc/86/27/00/563862700.db2.gz	PKAYLZILFXVFOD-UHFFFAOYSA-N	1	2	316.335	4.201	50	5		DIBALO
CC(C)(C)[C@@H]1CCc2[nH+]c(N)c3c(c4ccccc4oc3=O)c2C1	ZINC000019015020	182104108	/nfs/dbraw/zinc/10/41/08/182104108.db2.gz	JONBSVGDEYLTQJ-LLVKDONJSA-N	1	2	322.408	4.074	50	5		DIBALO
CCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)[nH+]c21	ZINC000000273012	563584347	/nfs/dbraw/zinc/58/43/47/563584347.db2.gz	YCOFIHYGIRCHDT-UHFFFAOYSA-N	1	2	320.352	4.274	50	5		DIBALO
O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1([NH+]1CCCCC1)O2	ZINC000019905379	182162380	/nfs/dbraw/zinc/16/23/80/182162380.db2.gz	YNVCWGSXSPXVJS-SFHVURJKSA-N	1	2	314.385	4.127	50	5		DIBALO
C[n+]1c2c(cc3ccccc31)c1ccc3ccccc3n1c2S	ZINC000013286044	563379993	/nfs/dbraw/zinc/37/99/93/563379993.db2.gz	FJMLFMGJUIXCGZ-UHFFFAOYSA-O	1	2	315.421	4.464	50	5		DIBALO
O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1([NH+]1CCCCC1)O2	ZINC000019905380	182162351	/nfs/dbraw/zinc/16/23/51/182162351.db2.gz	YNVCWGSXSPXVJS-GOSISDBHSA-N	1	2	314.385	4.127	50	5		DIBALO
Cn1cc[nH+]c1-c1c2ccccc2[nH]c1-c1ccc([N+](=O)[O-])cc1	ZINC000075271320	563862282	/nfs/dbraw/zinc/86/22/82/563862282.db2.gz	HAOHKNVCSSMYDA-UHFFFAOYSA-N	1	2	318.336	4.144	50	5		DIBALO
Cc1cc2[nH+]cn(-c3ccc([N+](=O)[O-])cc3Cl)c2cc1C	ZINC000003446381	181021074	/nfs/dbraw/zinc/02/10/74/181021074.db2.gz	JEWKEGWHEQNQSQ-UHFFFAOYSA-N	1	2	301.733	4.204	50	5		DIBALO
O=[N+]([O-])c1ccc(Sc2[nH+]cc3ccccn32)c(Cl)c1	ZINC000018901192	182103327	/nfs/dbraw/zinc/10/33/27/182103327.db2.gz	DEMKFHQNSSEQQB-UHFFFAOYSA-N	1	2	305.746	4.047	50	5		DIBALO
Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc[nH+]1	ZINC000078892744	185123899	/nfs/dbraw/zinc/12/38/99/185123899.db2.gz	XARJPONRYNOPDZ-UHFFFAOYSA-N	1	2	313.360	4.344	50	5		DIBALO
CC(C)(C)[C@H]1CCc2[nH+]c(N)c3c(c4ccccc4oc3=O)c2C1	ZINC000019015023	182103897	/nfs/dbraw/zinc/10/38/97/182103897.db2.gz	JONBSVGDEYLTQJ-NSHDSACASA-N	1	2	322.408	4.074	50	5		DIBALO
C[N@H+](Cc1ccc(O)c([N+](=O)[O-])c1)Cc1cccc2ccccc21	ZINC000023280946	182355718	/nfs/dbraw/zinc/35/57/18/182355718.db2.gz	JXNHYLZGWPYKGL-UHFFFAOYSA-N	1	2	322.364	4.086	50	5		DIBALO
C[N@@H+](Cc1ccc(O)c([N+](=O)[O-])c1)Cc1cccc2ccccc21	ZINC000023280946	182355720	/nfs/dbraw/zinc/35/57/20/182355720.db2.gz	JXNHYLZGWPYKGL-UHFFFAOYSA-N	1	2	322.364	4.086	50	5		DIBALO