smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC[NH2+]CCC[NH2+]CC1CCCCCCCCCCCCCC1	ZINC000169330870	206251831	/nfs/dbraw/zinc/25/18/31/206251831.db2.gz	IWMBYYQYKQRBAA-UHFFFAOYSA-N	3	1	353.639	4.996	1	0		FJAFMP
C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=Cc3ccccc3C3=[NH+]CCN32)cc1	ZINC000013740219	211055444	/nfs/dbraw/zinc/05/54/44/211055444.db2.gz	NEQQHVXXMSTVNA-SFHVURJKSA-N	2	1	357.501	4.635	1	0		FJAFMP
C[C@H]1CCCC[N@H+]1Cc1ccc(C2=Cc3ccccc3C3=[NH+]CCN32)cc1	ZINC000013740219	211055450	/nfs/dbraw/zinc/05/54/50/211055450.db2.gz	NEQQHVXXMSTVNA-SFHVURJKSA-N	2	1	357.501	4.635	1	0		FJAFMP
CC[NH+](CC)C[C@@H]1C[C@H]2CC[C@@H]1N(c1cc[nH+]c3cc(Cl)ccc31)C2	ZINC000028873454	136153564	/nfs/dbraw/zinc/15/35/64/136153564.db2.gz	TXNFYPIAXHMYBE-GUXCAODWSA-N	2	1	357.929	4.835	1	0		FJAFMP
Clc1ccc2c(NCCC[N@@H+]3CCc4ccccc4C3)cc[nH+]c2c1	ZINC000064573631	212040550	/nfs/dbraw/zinc/04/05/50/212040550.db2.gz	CJHQOXVRJMZKRI-UHFFFAOYSA-N	2	1	351.881	4.749	1	0		FJAFMP
Clc1ccc2c(NCCC[N@H+]3CCc4ccccc4C3)cc[nH+]c2c1	ZINC000064573631	212040553	/nfs/dbraw/zinc/04/05/53/212040553.db2.gz	CJHQOXVRJMZKRI-UHFFFAOYSA-N	2	1	351.881	4.749	1	0		FJAFMP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1	ZINC000029127710	211506739	/nfs/dbraw/zinc/50/67/39/211506739.db2.gz	MJQVOFAVZVQEPV-XUZZJYLKSA-N	2	1	350.550	4.603	1	0		FJAFMP
C[NH+](C)CCC[N@@H+](C)CCCN1c2ccccc2Sc2ccccc21	ZINC000040848721	136120466	/nfs/dbraw/zinc/12/04/66/136120466.db2.gz	MTWWMWJVGRPNPU-UHFFFAOYSA-N	2	1	355.551	4.563	1	0		FJAFMP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000029128051	207983090	/nfs/dbraw/zinc/98/30/90/207983090.db2.gz	JLDPRWUTMGAVLL-AHWVRZQESA-N	2	1	372.556	4.860	1	0		FJAFMP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2C[N@@H+](C3CCCC3)C[C@H]2C1	ZINC000029127840	207982913	/nfs/dbraw/zinc/98/29/13/207982913.db2.gz	MJQVOFAVZVQEPV-ZJSXRUAMSA-N	2	1	350.550	4.603	1	0		FJAFMP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1	ZINC000036289107	208152282	/nfs/dbraw/zinc/15/22/82/208152282.db2.gz	MJQVOFAVZVQEPV-URXFXBBRSA-N	2	1	350.550	4.603	1	0		FJAFMP
C[N@H+](C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C	ZINC000101060964	209220296	/nfs/dbraw/zinc/22/02/96/209220296.db2.gz	JSMMTOCSBNIMIR-AERCQKQUSA-N	2	1	356.460	4.611	1	0		FJAFMP
C[N@@H+](C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C	ZINC000101060964	209220299	/nfs/dbraw/zinc/22/02/99/209220299.db2.gz	JSMMTOCSBNIMIR-AERCQKQUSA-N	2	1	356.460	4.611	1	0		FJAFMP
C[NH+](C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000101060964	209220302	/nfs/dbraw/zinc/22/03/02/209220302.db2.gz	JSMMTOCSBNIMIR-AERCQKQUSA-N	2	1	356.460	4.611	1	0		FJAFMP
C[NH+](C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000101060964	209220303	/nfs/dbraw/zinc/22/03/03/209220303.db2.gz	JSMMTOCSBNIMIR-AERCQKQUSA-N	2	1	356.460	4.611	1	0		FJAFMP
CC(C)c1ccc(-c2c3c(n[nH+]c2N)c2ccccc2n3CC[NH+](C)C)cc1	ZINC000013580569	220075889	/nfs/dbraw/zinc/07/58/89/220075889.db2.gz	QXCFJVDWAKNVNJ-UHFFFAOYSA-N	2	1	373.504	4.519	1	0		FJAFMP
CC[NH+](CC)C[C@H]1C[C@H]2CC[C@@H]1N(c1cc[nH+]c3cc(Cl)ccc31)C2	ZINC000028873458	535599227	/nfs/dbraw/zinc/59/92/27/535599227.db2.gz	TXNFYPIAXHMYBE-QINHECLXSA-N	2	1	357.929	4.835	1	0		FJAFMP