smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@H]12	ZINC000028523076	581100873	/nfs/dbraw/zinc/10/08/73/581100873.db2.gz	SEVLWERLWNROPL-RBUKOAKNSA-N	2	1	369.534	3.206	1	0		FGAFMP
C[NH+](C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c1nc[nH+]c2N	ZINC000040408611	205069948	/nfs/dbraw/zinc/06/99/48/205069948.db2.gz	MUIFSXZDNITPGB-UHFFFAOYSA-N	2	1	373.460	3.479	1	0		FGAFMP
Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1C	ZINC000015066470	207542736	/nfs/dbraw/zinc/54/27/36/207542736.db2.gz	KDAICFMYNSJPHA-JOCHJYFZSA-N	2	1	352.526	3.259	1	0		FGAFMP
Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1C	ZINC000015066470	207542743	/nfs/dbraw/zinc/54/27/43/207542743.db2.gz	KDAICFMYNSJPHA-JOCHJYFZSA-N	2	1	352.526	3.259	1	0		FGAFMP
CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)NC[N@H+]2CCCC[C@H]21)C(C)C	ZINC000028265177	207957573	/nfs/dbraw/zinc/95/75/73/207957573.db2.gz	ZURWTJLUKIDQPW-UNMCSNQZSA-N	2	1	357.542	3.375	1	0		FGAFMP
CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)NC[N@@H+]2CCCC[C@H]21)C(C)C	ZINC000028265177	207957577	/nfs/dbraw/zinc/95/75/77/207957577.db2.gz	ZURWTJLUKIDQPW-UNMCSNQZSA-N	2	1	357.542	3.375	1	0		FGAFMP
Cc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](CCO)CC1)=N2	ZINC000100765071	209217623	/nfs/dbraw/zinc/21/76/23/209217623.db2.gz	PCGWIAIYKRIPOX-UHFFFAOYSA-N	2	1	361.489	3.275	1	0		FGAFMP
NC(=[NH2+])c1ccc2nc(-c3ccc(-c4cccc(C(N)=[NH2+])c4)cc3)[nH]c2c1	ZINC000058639172	212011825	/nfs/dbraw/zinc/01/18/25/212011825.db2.gz	JTEAXLWMBHFLPI-UHFFFAOYSA-N	2	1	354.417	3.465	1	0	in-vitro	FGAFMP
[NH3+]CCCC[N@H+](C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242137	222328321	/nfs/dbraw/zinc/32/83/21/222328321.db2.gz	UFBUAAGSLDNFTI-YADHBBJMSA-N	2	1	364.537	3.387	1	0		FGAFMP
[NH3+]CCCC[N@@H+](C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242137	222328323	/nfs/dbraw/zinc/32/83/23/222328323.db2.gz	UFBUAAGSLDNFTI-YADHBBJMSA-N	2	1	364.537	3.387	1	0		FGAFMP
[NH3+]CCCC[N@H+](C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21	ZINC000103242141	222327612	/nfs/dbraw/zinc/32/76/12/222327612.db2.gz	MYCKNKHATQGHEV-VXKWHMMOSA-N	2	1	364.537	3.214	1	0		FGAFMP
[NH3+]CCCC[N@@H+](C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21	ZINC000103242141	222327615	/nfs/dbraw/zinc/32/76/15/222327615.db2.gz	MYCKNKHATQGHEV-VXKWHMMOSA-N	2	1	364.537	3.214	1	0		FGAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@H]12	ZINC000028523077	581100818	/nfs/dbraw/zinc/10/08/18/581100818.db2.gz	SEVLWERLWNROPL-OALUTQOASA-N	2	1	369.534	3.206	1	0		FGAFMP
CCc1[nH+]c2ccc(C(=O)N(C)CC[NH+](C)C)cn2c1N(C)CCC(C)C	ZINC000061896483	221135910	/nfs/dbraw/zinc/13/59/10/221135910.db2.gz	AQTHUFVAUXBLIE-UHFFFAOYSA-N	2	1	373.545	3.013	3	0		FGAFMP
O=c1ccc2cc(OCCC[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2o1	ZINC000071295820	221341791	/nfs/dbraw/zinc/34/17/91/221341791.db2.gz	QGYFXRKMAMPCLQ-AZUAARDMSA-N	2	1	370.493	3.416	1	0		FGAFMP
Cc1nn(C)c2nc3ccccc3c(NCCC[N@@H+](C)CCC[NH+](C)C)c12	ZINC000169328576	206252217	/nfs/dbraw/zinc/25/22/17/206252217.db2.gz	DMKYIPIXGFIGMP-UHFFFAOYSA-N	2	1	368.529	3.115	1	0		FGAFMP
CN(C)CCC[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1	ZINC000169318082	210175740	/nfs/dbraw/zinc/17/57/40/210175740.db2.gz	IJSIBXVLNRATNY-GGAORHGYSA-N	2	1	366.505	3.031	1	0		FGAFMP
COc1cccc([C@H]2C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1	ZINC000028821843	211499208	/nfs/dbraw/zinc/49/92/08/211499208.db2.gz	ZQWRLMAEBNBJTD-AQNXPRMDSA-N	2	1	368.477	3.126	1	0		FGAFMP
COc1cccc([C@H]2C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C[C@H]2[NH3+])c1	ZINC000028821843	211499210	/nfs/dbraw/zinc/49/92/10/211499210.db2.gz	ZQWRLMAEBNBJTD-AQNXPRMDSA-N	2	1	368.477	3.126	1	0		FGAFMP
S=C1C[C@@H]([NH2+]Cc2ccccc2)C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34	ZINC000064750433	212043103	/nfs/dbraw/zinc/04/31/03/212043103.db2.gz	HUOPJLBMDGZQDP-WXOXAHCZSA-N	2	1	369.578	3.441	1	0		FGAFMP
[NH3+][C@@H]1[C@H]2C[N@H+](CCCNc3c4ccccc4[nH+]c4c3CCCCC4)C[C@H]21	ZINC000100819951	222254672	/nfs/dbraw/zinc/25/46/72/222254672.db2.gz	JHOKRRBMPVAKAN-WGMWDUQUSA-N	3	1	350.510	3.195	1	0		FGAFMP
[NH3+][C@@H]1[C@H]2CN(CCCNc3c4ccccc4[nH+]c4c3CCCCC4)C[C@H]21	ZINC000100819951	222254674	/nfs/dbraw/zinc/25/46/74/222254674.db2.gz	JHOKRRBMPVAKAN-WGMWDUQUSA-N	2	1	350.510	3.195	1	0		FGAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@H]2CCSC[C@@H]12	ZINC000169351328	581100853	/nfs/dbraw/zinc/10/08/53/581100853.db2.gz	SEVLWERLWNROPL-MOPGFXCFSA-N	2	1	369.534	3.206	1	0		FGAFMP
NC(=[NH2+])c1ccc(-c2nc3ccc(-c4ccc(C(N)=[NH2+])cc4)cc3[nH]2)cc1	ZINC000071295171	221340659	/nfs/dbraw/zinc/34/06/59/221340659.db2.gz	PHJDIHHRXDMKMB-UHFFFAOYSA-N	2	1	354.417	3.465	1	0		FGAFMP
Cc1ccccc1SCc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000029216088	132919859	/nfs/dbraw/zinc/91/98/59/132919859.db2.gz	YIMNJGMTEZDFCY-UHFFFAOYSA-N	2	1	353.495	3.473	1	0		FGAFMP
[NH3+]CCCC[N@H+](C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242143	222328396	/nfs/dbraw/zinc/32/83/96/222328396.db2.gz	UFBUAAGSLDNFTI-VXKWHMMOSA-N	2	1	364.537	3.387	1	0		FGAFMP
[NH3+]CCCC[N@@H+](C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242143	222328399	/nfs/dbraw/zinc/32/83/99/222328399.db2.gz	UFBUAAGSLDNFTI-VXKWHMMOSA-N	2	1	364.537	3.387	1	0		FGAFMP
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCSC[C@@H]12	ZINC000058550492	581100858	/nfs/dbraw/zinc/10/08/58/581100858.db2.gz	SEVLWERLWNROPL-RTBURBONSA-N	2	1	369.534	3.206	1	0		FGAFMP