smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CC[NH+]([C@H]2CCSC2)CC3)cc1	ZINC000014535702	555824687	/nfs/dbraw/zinc/82/46/87/555824687.db2.gz	NFOXRBXDMNRURH-FQEVSTJZSA-N	1	3	460.644	2.404	50	0		JEAAHO
COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CC[NH+](C2CCOCC2)CC3)cc1	ZINC000014542768	555833707	/nfs/dbraw/zinc/83/37/07/555833707.db2.gz	PVODEJLOOHIXKS-UHFFFAOYSA-N	1	3	458.603	2.077	50	0		JEAAHO
CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CCN(Cc4ccccc4)CC3)C2=O)cc1	ZINC000101813787	569805381	/nfs/dbraw/zinc/80/53/81/569805381.db2.gz	KBGUWUKHCQBUTL-DEOSSOPVSA-N	1	3	478.593	2.293	50	0		JEAAHO
CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCC([NH+]3CCCCC3)CC2)(c2ccccc2F)C1=O	ZINC000011880524	555848612	/nfs/dbraw/zinc/84/86/12/555848612.db2.gz	KASKBHOKDJOARK-SANMLTNESA-N	1	3	472.605	2.251	50	0		JEAAHO
CN1CCCN(c2nnc(C(=O)N3CCN(CC[NH+]4CCCCC4)CC3)c3ccccc32)CC1	ZINC000034839719	569666941	/nfs/dbraw/zinc/66/69/41/569666941.db2.gz	OGFDFZZAAJNWTN-UHFFFAOYSA-N	1	3	465.646	2.015	50	0		JEAAHO
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1C	ZINC000014882318	524039864	/nfs/dbraw/zinc/03/98/64/524039864.db2.gz	BNFTXTVCPOLCLU-LJQANCHMSA-N	1	3	454.619	2.481	50	0		JEAAHO
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	ZINC000012099722	555907089	/nfs/dbraw/zinc/90/70/89/555907089.db2.gz	APMJMNLXIXZVAW-ZLQZBKBYSA-N	1	3	452.603	2.377	50	0		JEAAHO
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CCN(Cc2ccncc2)CC3)cc1	ZINC000014732524	523945141	/nfs/dbraw/zinc/94/51/41/523945141.db2.gz	IJWNTQFTBDLTNV-UHFFFAOYSA-N	1	3	465.598	2.493	50	0		JEAAHO
CN(C)CCn1ccc(NC(=O)CC2(CC(=O)Nc3ccn(CC[NH+](C)C)n3)CCCC2)n1	ZINC000078554530	569706443	/nfs/dbraw/zinc/70/64/43/569706443.db2.gz	RSYZRDSTJGFYIP-UHFFFAOYSA-N	1	3	458.611	2.121	50	0		JEAAHO
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CCN(Cc4ccccc4)CC3)C2=O)cc1	ZINC000022782341	521482702	/nfs/dbraw/zinc/48/27/02/521482702.db2.gz	KBGUWUKHCQBUTL-XMMPIXPASA-N	1	3	478.593	2.293	50	0		JEAAHO
c1cc(C[NH2+]CCN2CCOCC2)n(-c2nnc(N3CCN(C4CCCCC4)CC3)s2)c1	ZINC000020942795	195256353	/nfs/dbraw/zinc/25/63/53/195256353.db2.gz	VZVGCBGILSQOMQ-UHFFFAOYSA-N	1	3	459.664	2.205	50	0		JEAAHO
CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cnn2c(=O)c2c1CCNC2	ZINC000064966202	523251923	/nfs/dbraw/zinc/25/19/23/523251923.db2.gz	GQWXTZSDTTVBSZ-UHFFFAOYSA-N	1	3	462.598	2.112	50	0		JEAAHO
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)c(C)c1C	ZINC000014882319	524039885	/nfs/dbraw/zinc/03/98/85/524039885.db2.gz	BNFTXTVCPOLCLU-IBGZPJMESA-N	1	3	454.619	2.481	50	0		JEAAHO
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C	ZINC000014992707	522193470	/nfs/dbraw/zinc/19/34/70/522193470.db2.gz	UEDFLEAYCAMZHL-LJQANCHMSA-N	1	3	454.619	2.481	50	0		JEAAHO
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C	ZINC000014992709	522195674	/nfs/dbraw/zinc/19/56/74/522195674.db2.gz	UEDFLEAYCAMZHL-IBGZPJMESA-N	1	3	454.619	2.481	50	0		JEAAHO
COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CC[NH+]([C@@H]2CCSC2)CC3)cc1	ZINC000014535701	555824719	/nfs/dbraw/zinc/82/47/19/555824719.db2.gz	NFOXRBXDMNRURH-HXUWFJFHSA-N	1	3	460.644	2.404	50	0		JEAAHO
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(Cc2ccccc2)CC1	ZINC000020531756	555799293	/nfs/dbraw/zinc/79/92/93/555799293.db2.gz	SFLLXHAPVFIGSO-UHFFFAOYSA-N	1	3	454.615	2.038	50	0	biogenic	JEAAHO
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	ZINC000012099723	555907060	/nfs/dbraw/zinc/90/70/60/555907060.db2.gz	APMJMNLXIXZVAW-FNQPIQQGSA-N	1	3	452.603	2.377	50	0		JEAAHO
C[NH+]1CCC2(CC1)NC(=O)N(CN1CCCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2=O	ZINC000023257108	556036025	/nfs/dbraw/zinc/03/60/25/556036025.db2.gz	CZKGYVBLHQDXNI-UHFFFAOYSA-N	1	3	453.509	2.187	50	0		JEAAHO
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CCN(Cc2cnn(C)c2C)CC3)cc1	ZINC000014753392	523944829	/nfs/dbraw/zinc/94/48/29/523944829.db2.gz	YVFMLVFINSDLQC-UHFFFAOYSA-N	1	3	482.629	2.140	50	0		JEAAHO
CCn1c2c(C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2	ZINC000064966207	523252479	/nfs/dbraw/zinc/25/24/79/523252479.db2.gz	PFNLCPHKIACQEE-UHFFFAOYSA-N	1	3	483.016	2.457	50	0		JEAAHO
CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000023354090	556048497	/nfs/dbraw/zinc/04/84/97/556048497.db2.gz	VFWVYAXBVDHYBT-ZEQKJWHPSA-N	1	3	451.659	2.203	50	0		JEAAHO
CN(C)CCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1	ZINC000023354090	556048500	/nfs/dbraw/zinc/04/85/00/556048500.db2.gz	VFWVYAXBVDHYBT-ZEQKJWHPSA-N	1	3	451.659	2.203	50	0		JEAAHO
CCN1CCN(C2CC[NH+](Cc3cc4ccc(Cl)cc4n(CC(=O)OC)c3=O)CC2)CC1	ZINC000023362241	556049318	/nfs/dbraw/zinc/04/93/18/556049318.db2.gz	GUGRVBAOISQPJQ-UHFFFAOYSA-N	1	3	461.006	2.430	50	0		JEAAHO
CN(C)CCN1C(=O)C[C@](CC(=O)N2CCC([NH+]3CCCCC3)CC2)(c2ccccc2F)C1=O	ZINC000011880525	555848690	/nfs/dbraw/zinc/84/86/90/555848690.db2.gz	KASKBHOKDJOARK-AREMUKBSSA-N	1	3	472.605	2.251	50	0		JEAAHO
CCn1c2c(C(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)cnn2c(=O)c2c1CC[NH2+]C2	ZINC000064966206	523252682	/nfs/dbraw/zinc/25/26/82/523252682.db2.gz	RFUNYICRRFQXIP-UHFFFAOYSA-N	1	3	483.016	2.457	50	0		JEAAHO