smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1ccccc1C=C1C=CN(c2ccc(Cl)cc2)C=C1	ZINC000005587225	134657500	/nfs/dbraw/zinc/65/75/00/134657500.db2.gz	MAUQWTVQZBTJDP-UHFFFAOYSA-N	1	0	295.793	4.096	1	10		CICFRO
Cc1cccc2c(NC[C@H]3CCCO3)c3ccccc3[nH+]c12	ZINC000045284881	175353655	/nfs/dbraw/zinc/35/36/55/175353655.db2.gz	DLQKKRJCGDEQPA-CQSZACIVSA-N	1	0	292.382	4.287	1	10		CICFRO
Oc1ccc(Cc2ccccc2)cc1C[NH2+]C1CCCCC1	ZINC000045211383	175329086	/nfs/dbraw/zinc/32/90/86/175329086.db2.gz	UHQSCXGPXYYIMK-UHFFFAOYSA-N	1	0	295.426	4.405	1	10		CICFRO
Cc1cccc2c(NC[C@@H]3CCCO3)c3ccccc3[nH+]c12	ZINC000045284879	175353531	/nfs/dbraw/zinc/35/35/31/175353531.db2.gz	DLQKKRJCGDEQPA-AWEZNQCLSA-N	1	0	292.382	4.287	1	10		CICFRO
CCCC[C@@H]1Cc2ccccc2-c2n(C)c3ccccc3[n+]21	ZINC000005596657	170117754	/nfs/dbraw/zinc/11/77/54/170117754.db2.gz	ZNOSACKWMMLEIO-MRXNPFEDSA-N	1	0	291.418	4.420	1	10		CICFRO
CCc1ccc(/C=C/c2c[nH]c3ccccc23)[n+](CC)c1	ZINC000004656158	169994497	/nfs/dbraw/zinc/99/44/97/169994497.db2.gz	UIBCKKGCCMWYMA-UHFFFAOYSA-O	1	0	277.391	4.208	3	10		CICFRO
Cc1ccc(/N=N/N(CCC[NH+](C)C)c2ccccc2)cc1	ZINC000045299253	175354809	/nfs/dbraw/zinc/35/48/09/175354809.db2.gz	ROFGFFUMSZQMIU-FMQUCBEESA-N	1	0	296.418	4.452	1	10		CICFRO
C[NH+](C)CCCN(/N=N/c1ccccc1)c1ccccc1	ZINC000045283508	175353436	/nfs/dbraw/zinc/35/34/36/175353436.db2.gz	OMHZGGNRTHKSBD-VHEBQXMUSA-N	1	0	282.391	4.144	1	10		CICFRO
C[NH+](C)CCCNc1ccc(/N=N/c2ccccc2)cc1	ZINC000045284107	175353554	/nfs/dbraw/zinc/35/35/54/175353554.db2.gz	LXWAALKAZPHUJV-FMQUCBEESA-N	1	0	282.391	4.466	1	10		CICFRO
Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1Cl)[C@H]2[NH3+]	ZINC000026151912	171473216	/nfs/dbraw/zinc/47/32/16/171473216.db2.gz	RUFVXARVYOJZTK-CZUORRHYSA-N	1	0	287.790	4.002	1	10		CICFRO
CC(C)C[C@@H](CO)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000003892259	169920702	/nfs/dbraw/zinc/92/07/02/169920702.db2.gz	IPLBOHVMAWXSCD-AWEZNQCLSA-N	1	0	294.398	4.207	1	10		CICFRO
Cc1ccc(N=[N+]=c2sc3ccccc3n2C)cc1	ZINC000086863013	327159245	/nfs/dbraw/zinc/15/92/45/327159245.db2.gz	NWPCXJJSWAYMAD-UHFFFAOYSA-N	1	0	268.365	4.450	2	10		CICFRO
C[NH+]1CCC(=C2c3ccccc3CCc3ccccc32)CC1	ZINC000005966229	170163504	/nfs/dbraw/zinc/16/35/04/170163504.db2.gz	BCTLPBWGLJDKHE-UHFFFAOYSA-N	1	0	289.422	4.313	1	10		CICFRO
Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CCCCC1	ZINC000045168838	175319835	/nfs/dbraw/zinc/31/98/35/175319835.db2.gz	PFQCUDCUBXFIKU-UHFFFAOYSA-N	1	0	281.399	4.482	1	10		CICFRO