smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cnc(C[N@@H+](CCCC[NH3+])[C@H](C)c2ccccn2)c(C)c1	ZINC000066065981	184386452	/nfs/dbraw/zinc/38/64/52/184386452.db2.gz	ZOSBGNJWLUKHGF-QGZVFWFLSA-N	2	0	312.461	3.396	1	0		DGAFRP
[NH3+]Cc1ccccc1C1(O)CC[NH+](CC2CCCCCC2)CC1	ZINC000028817232	182539778	/nfs/dbraw/zinc/53/97/78/182539778.db2.gz	YFTOEXGSRXAKRE-UHFFFAOYSA-N	2	0	316.489	3.399	1	0		DGAFRP
C[NH+](C)CCCN(CCC[NH+](C)C)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000002489762	431255484	/nfs/dbraw/zinc/25/54/84/431255484.db2.gz	JCGPFEIOWTWNEM-OALUTQOASA-N	2	0	321.553	3.184	1	0		DGAFRP
Cc1cccc(C[N@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)n1	ZINC000066076010	184386920	/nfs/dbraw/zinc/38/69/20/184386920.db2.gz	DYNCUXHVLGCFAT-LJQANCHMSA-N	2	0	324.472	3.404	1	0		DGAFRP
Cc1cnc(C[N@@H+](CCCC[NH3+])[C@@H](C)c2ccccn2)c(C)c1	ZINC000066065980	184386343	/nfs/dbraw/zinc/38/63/43/184386343.db2.gz	ZOSBGNJWLUKHGF-KRWDZBQOSA-N	2	0	312.461	3.396	1	0		DGAFRP
Cc1ccnc(C[N@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)c1	ZINC000066076006	184387169	/nfs/dbraw/zinc/38/71/69/184387169.db2.gz	AOYOMCFAVFSUJS-IBGZPJMESA-N	2	0	324.472	3.404	1	0		DGAFRP
c1ccc2c(c1)cccc2CN1CCC[NH2+]CCC[NH2+]CCC1	ZINC000073280569	191300145	/nfs/dbraw/zinc/30/01/45/191300145.db2.gz	PZAUBWKRRRGCEB-UHFFFAOYSA-N	2	0	311.473	3.005	1	0		DGAFRP
NC(=[NH2+])c1ccc2oc(-c3cc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1	ZINC000006535076	181351880	/nfs/dbraw/zinc/35/18/80/181351880.db2.gz	MLFRJYOSUAFTGN-UHFFFAOYSA-N	2	0	317.352	3.149	1	0		DGAFRP
C[NH+](C)Cc1ccccc1-c1cncnc1Nc1cc[nH+]cc1	ZINC000004239215	181087069	/nfs/dbraw/zinc/08/70/69/181087069.db2.gz	XQXCVOWERWISCP-UHFFFAOYSA-N	2	0	305.385	3.344	1	0		DGAFRP
Cc1cccc(C[N@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)n1	ZINC000066076012	184386847	/nfs/dbraw/zinc/38/68/47/184386847.db2.gz	DYNCUXHVLGCFAT-IBGZPJMESA-N	2	0	324.472	3.404	1	0		DGAFRP
Cc1ccc(C[N@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)nc1	ZINC000066076007	184387259	/nfs/dbraw/zinc/38/72/59/184387259.db2.gz	OPYUKWLQFVZBTO-LJQANCHMSA-N	2	0	324.472	3.404	1	0		DGAFRP
CCCCCC(=O)N(CCCC[NH+](C)C)CCCC[NH+](C)C	ZINC000005120855	571687649	/nfs/dbraw/zinc/68/76/49/571687649.db2.gz	KKYYJGJYEAKUMS-UHFFFAOYSA-N	2	0	313.530	3.079	1	0	endogenous,in-man	DGAFRP
NC(=[NH2+])Nc1ccc(-c2cc3cc(NC(N)=[NH2+])ccc3s2)cc1	ZINC000006536338	181351682	/nfs/dbraw/zinc/35/16/82/181351682.db2.gz	FLHFMWFBIPVOJM-UHFFFAOYSA-N	2	0	324.413	3.179	1	0		DGAFRP
Cc1ccc(C[N@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)nc1	ZINC000066076009	184386764	/nfs/dbraw/zinc/38/67/64/184386764.db2.gz	OPYUKWLQFVZBTO-IBGZPJMESA-N	2	0	324.472	3.404	1	0		DGAFRP
c1ccc2c[n+](COC[n+]3ccc4ccccc4c3)ccc2c1	ZINC000066157190	184393815	/nfs/dbraw/zinc/39/38/15/184393815.db2.gz	BYZAGCWPLBSOCX-UHFFFAOYSA-N	2	0	302.377	3.200	1	0		DGAFRP
CC(C)(C)c1cc[n+](COC[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000038496258	183000244	/nfs/dbraw/zinc/00/02/44/183000244.db2.gz	HLOCPCSCTALETD-UHFFFAOYSA-N	2	0	314.473	3.488	1	0		DGAFRP
NC(=[NH2+])c1ccc(-c2csc(-c3ccc(C(N)=[NH2+])cc3)n2)cc1	ZINC000066104594	184389912	/nfs/dbraw/zinc/38/99/12/184389912.db2.gz	OMSJVTLUWKZQED-UHFFFAOYSA-N	2	0	321.409	3.045	1	0		DGAFRP
CC[NH2+]CCCNc1[nH+]cc(C)c2[nH]c3ccc(OC)cc3c21	ZINC000100905364	193806193	/nfs/dbraw/zinc/80/61/93/193806193.db2.gz	LMOYMGHVBVKBOX-UHFFFAOYSA-N	2	0	312.417	3.396	1	0		DGAFRP
COc1ccc(C[NH+](CCC[NH3+])Cc2ccc(OC)cc2)cc1	ZINC000027718071	431692772	/nfs/dbraw/zinc/69/27/72/431692772.db2.gz	XHFGUJQFEALHKT-UHFFFAOYSA-N	2	0	314.429	3.055	1	0		DGAFRP
COc1ccccc1C[NH2+]CC1(c2ccccc2)CC[NH2+]CC1	ZINC000027523564	182475211	/nfs/dbraw/zinc/47/52/11/182475211.db2.gz	XDHFNHKPHMHUIP-UHFFFAOYSA-N	2	0	310.441	3.106	1	0		DGAFRP
Cc1c[nH+]c(NCCC[NH+](C)C)c2c3cc(O)ccc3n(C)c21	ZINC000003644717	181043533	/nfs/dbraw/zinc/04/35/33/181043533.db2.gz	DXPDESOAWCQETH-UHFFFAOYSA-N	2	0	312.417	3.104	1	0		DGAFRP
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)o2)s1	ZINC000066166511	184394557	/nfs/dbraw/zinc/39/45/57/184394557.db2.gz	WHITXMSQIGCCNG-UHFFFAOYSA-N	2	0	310.382	3.243	1	0		DGAFRP
Cc1ccnc([C@H](C)[N@H+](CCCC[NH3+])Cc2ncccc2C)c1	ZINC000066079741	184387363	/nfs/dbraw/zinc/38/73/63/184387363.db2.gz	ODWVSSSPZXBJFJ-KRWDZBQOSA-N	2	0	312.461	3.396	1	0		DGAFRP
CC[NH+](CC)CCCNc1[nH+]ccc2c1c1c[nH+]ccc1n2C	ZINC000005139275	181208962	/nfs/dbraw/zinc/20/89/62/181208962.db2.gz	SXRKVHYWPFHKBN-UHFFFAOYSA-N	2	0	311.433	3.265	1	0		DGAFRP
Cc1cccnc1C[N@H+](CCCC[NH3+])[C@@H]1CCCc2cccnc21	ZINC000066076001	184386896	/nfs/dbraw/zinc/38/68/96/184386896.db2.gz	DYIVWDFUVRUDQO-LJQANCHMSA-N	2	0	324.472	3.404	1	0		DGAFRP
Cc1ccnc(C[N@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)c1	ZINC000066076004	184386703	/nfs/dbraw/zinc/38/67/03/184386703.db2.gz	AOYOMCFAVFSUJS-LJQANCHMSA-N	2	0	324.472	3.404	1	0		DGAFRP
OC1CC[NH+](CC2CC[NH+](CC3CCCCCC3)CC2)CC1	ZINC000072181304	191072656	/nfs/dbraw/zinc/07/26/56/191072656.db2.gz	RHOBACFIOMEFEK-UHFFFAOYSA-N	2	0	308.510	3.126	1	0		DGAFRP
Cc1cccnc1C[N@H+](CCCC[NH3+])[C@H]1CCCc2cccnc21	ZINC000066076002	184387186	/nfs/dbraw/zinc/38/71/86/184387186.db2.gz	DYIVWDFUVRUDQO-IBGZPJMESA-N	2	0	324.472	3.404	1	0		DGAFRP
Cc1ccnc([C@@H](C)[N@H+](CCCC[NH3+])Cc2ncccc2C)c1	ZINC000066079739	184387552	/nfs/dbraw/zinc/38/75/52/184387552.db2.gz	ODWVSSSPZXBJFJ-QGZVFWFLSA-N	2	0	312.461	3.396	1	0		DGAFRP