smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	ZINC000177980153	822268147	/nfs/dbraw/zinc/26/81/47/822268147.db2.gz	VEYSHILNWBNEOE-LJQANCHMSA-N	2	1	399.554	4.353	20	10		GICDMP
C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1O	ZINC000185645619	822806204	/nfs/dbraw/zinc/80/62/04/822806204.db2.gz	PIUOAMPFOATLFH-SFHVURJKSA-N	2	1	386.511	4.253	20	10		GICDMP
C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	ZINC000182266839	822178124	/nfs/dbraw/zinc/17/81/24/822178124.db2.gz	JNMJPWWDYVIKIV-NLFFAJNJSA-N	2	1	393.575	4.094	20	10		GICDMP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CC1	ZINC000185362594	822771882	/nfs/dbraw/zinc/77/18/82/822771882.db2.gz	JBOFGTDCWJUKPS-CVEARBPZSA-N	2	1	389.490	4.224	20	10		GICDMP
Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(O)c1	ZINC000185332023	822767394	/nfs/dbraw/zinc/76/73/94/822767394.db2.gz	ZDVUWWOGNDASTQ-IBGZPJMESA-N	2	1	398.547	4.041	20	10		GICDMP
C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2	ZINC000186519826	822907849	/nfs/dbraw/zinc/90/78/49/822907849.db2.gz	IEYCOKSSMUTSKW-WZONZLPQSA-N	2	1	394.559	4.079	20	10		GICDMP
COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1	ZINC000185544386	822795205	/nfs/dbraw/zinc/79/52/05/822795205.db2.gz	UHPSHZUJTYGMFP-KRWDZBQOSA-N	2	1	380.488	4.477	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)CC2)cc1	ZINC000164978686	823828182	/nfs/dbraw/zinc/82/81/82/823828182.db2.gz	HLVGNNWFXWODMU-WZONZLPQSA-N	2	1	399.604	4.398	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CC2)cc1	ZINC000164978686	823828191	/nfs/dbraw/zinc/82/81/91/823828191.db2.gz	HLVGNNWFXWODMU-WZONZLPQSA-N	2	1	399.604	4.398	20	10		GICDMP
CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(F)ccc3O)CC2)cs1	ZINC000185423440	822782046	/nfs/dbraw/zinc/78/20/46/822782046.db2.gz	PPNWAWKHQLWLND-CQSZACIVSA-N	2	1	377.529	4.113	20	10		GICDMP
C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O	ZINC000186519758	822907699	/nfs/dbraw/zinc/90/76/99/822907699.db2.gz	RNWORERSTKQEJL-PGRDOPGGSA-N	2	1	390.527	4.353	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)cc1	ZINC000125123357	823653279	/nfs/dbraw/zinc/65/32/79/823653279.db2.gz	UYUZCUVQHMZKAC-HXUWFJFHSA-N	2	1	393.575	4.479	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)CC2)cc1	ZINC000164978777	823828123	/nfs/dbraw/zinc/82/81/23/823828123.db2.gz	HLVGNNWFXWODMU-FDDCHVKYSA-N	2	1	399.604	4.398	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)CC2)cc1	ZINC000164978777	823828131	/nfs/dbraw/zinc/82/81/31/823828131.db2.gz	HLVGNNWFXWODMU-FDDCHVKYSA-N	2	1	399.604	4.398	20	10		GICDMP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CC1	ZINC000185362557	822771866	/nfs/dbraw/zinc/77/18/66/822771866.db2.gz	JBOFGTDCWJUKPS-HOTGVXAUSA-N	2	1	389.490	4.224	20	10		GICDMP
CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1	ZINC000177980137	822267972	/nfs/dbraw/zinc/26/79/72/822267972.db2.gz	VEYSHILNWBNEOE-IBGZPJMESA-N	2	1	399.554	4.353	20	10		GICDMP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CC1	ZINC000185362533	822771844	/nfs/dbraw/zinc/77/18/44/822771844.db2.gz	JBOFGTDCWJUKPS-JKSUJKDBSA-N	2	1	389.490	4.224	20	10		GICDMP
c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)cc1	ZINC000163594899	823726784	/nfs/dbraw/zinc/72/67/84/823726784.db2.gz	KPHMBYIULDLJDI-UHFFFAOYSA-N	2	1	395.616	4.037	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1	ZINC000126831815	823962271	/nfs/dbraw/zinc/96/22/71/823962271.db2.gz	DUGQCCLMBUAXNL-IBGZPJMESA-N	2	1	399.604	4.227	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1	ZINC000126831815	823962278	/nfs/dbraw/zinc/96/22/78/823962278.db2.gz	DUGQCCLMBUAXNL-IBGZPJMESA-N	2	1	399.604	4.227	20	10		GICDMP
C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N(C)C)cc1	ZINC000124596722	823609605	/nfs/dbraw/zinc/60/96/05/823609605.db2.gz	HKWQVYAFTDOKFH-ZCNNSNEGSA-N	2	1	381.564	4.213	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1	ZINC000126832050	823962012	/nfs/dbraw/zinc/96/20/12/823962012.db2.gz	DUGQCCLMBUAXNL-LJQANCHMSA-N	2	1	399.604	4.227	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1	ZINC000126832050	823962018	/nfs/dbraw/zinc/96/20/18/823962018.db2.gz	DUGQCCLMBUAXNL-LJQANCHMSA-N	2	1	399.604	4.227	20	10		GICDMP
Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1	ZINC000185331918	822767317	/nfs/dbraw/zinc/76/73/17/822767317.db2.gz	LHAJNOJEQXMXTO-LJQANCHMSA-N	2	1	398.547	4.041	20	10		GICDMP
C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	ZINC000182266819	822178006	/nfs/dbraw/zinc/17/80/06/822178006.db2.gz	JNMJPWWDYVIKIV-CPJSRVTESA-N	2	1	393.575	4.094	20	10		GICDMP
Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(O)c1	ZINC000185332008	822767324	/nfs/dbraw/zinc/76/73/24/822767324.db2.gz	ZDVUWWOGNDASTQ-LJQANCHMSA-N	2	1	398.547	4.041	20	10		GICDMP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CC1	ZINC000185362578	822771971	/nfs/dbraw/zinc/77/19/71/822771971.db2.gz	JBOFGTDCWJUKPS-HZPDHXFCSA-N	2	1	389.490	4.224	20	10		GICDMP
Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4c(cc3O)CCCC4)CC2)oc1C	ZINC000185430423	822782884	/nfs/dbraw/zinc/78/28/84/822782884.db2.gz	JZDNEZCWITWLPB-QGZVFWFLSA-N	2	1	397.563	4.439	20	10		GICDMP
C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1O	ZINC000185645633	822806166	/nfs/dbraw/zinc/80/61/66/822806166.db2.gz	PIUOAMPFOATLFH-GOSISDBHSA-N	2	1	386.511	4.253	20	10		GICDMP
C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O	ZINC000186519777	822907738	/nfs/dbraw/zinc/90/77/38/822907738.db2.gz	RNWORERSTKQEJL-XMSQKQJNSA-N	2	1	390.527	4.353	20	10		GICDMP
CCOc1ccc(O)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1	ZINC000174450219	822791230	/nfs/dbraw/zinc/79/12/30/822791230.db2.gz	DKLVPLHFMQDORU-UHFFFAOYSA-N	2	1	380.488	4.306	20	10		GICDMP
COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1	ZINC000185544407	822795141	/nfs/dbraw/zinc/79/51/41/822795141.db2.gz	UHPSHZUJTYGMFP-QGZVFWFLSA-N	2	1	380.488	4.477	20	10		GICDMP
COc1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)cc1	ZINC000125123144	823653263	/nfs/dbraw/zinc/65/32/63/823653263.db2.gz	UYUZCUVQHMZKAC-FQEVSTJZSA-N	2	1	393.575	4.479	20	10		GICDMP
CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(F)ccc3O)CC2)cs1	ZINC000185423418	822781991	/nfs/dbraw/zinc/78/19/91/822781991.db2.gz	PPNWAWKHQLWLND-AWEZNQCLSA-N	2	1	377.529	4.113	20	10		GICDMP
Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)CC2)oc1C	ZINC000185430399	822782791	/nfs/dbraw/zinc/78/27/91/822782791.db2.gz	JZDNEZCWITWLPB-KRWDZBQOSA-N	2	1	397.563	4.439	20	10		GICDMP
Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1	ZINC000185331937	822767410	/nfs/dbraw/zinc/76/74/10/822767410.db2.gz	LHAJNOJEQXMXTO-IBGZPJMESA-N	2	1	398.547	4.041	20	10		GICDMP
CCOc1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1O	ZINC000174452190	822791781	/nfs/dbraw/zinc/79/17/81/822791781.db2.gz	FPBSGBYVQQIIBL-UHFFFAOYSA-N	2	1	380.488	4.306	20	10		GICDMP
C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2	ZINC000186519806	822907869	/nfs/dbraw/zinc/90/78/69/822907869.db2.gz	IEYCOKSSMUTSKW-FDDCHVKYSA-N	2	1	394.559	4.079	20	10		GICDMP