smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1C[NH+]1CCC(O)CC1	ZINC000071767097	205294755	/nfs/dbraw/zinc/29/47/55/205294755.db2.gz	STGDFFSIFZPUNU-UHFFFAOYSA-N	2	2	383.879	4.294	50	10		GICALP
Oc1ccc(Br)cc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1	ZINC000069374302	205273913	/nfs/dbraw/zinc/27/39/13/205273913.db2.gz	GJONCGJHWMLVOV-OAHLLOKOSA-N	2	2	381.339	4.143	50	10		GICALP
C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734633	570512018	/nfs/dbraw/zinc/51/20/18/570512018.db2.gz	YDICPMBHHWNYNB-HUUCEWRRSA-N	2	2	381.358	4.097	50	10		GICALP
Cc1c(O)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc2c3c(c(=O)oc12)CCCC3	ZINC000008739105	204287293	/nfs/dbraw/zinc/28/72/93/204287293.db2.gz	FHXFITSWCPTFAO-UHFFFAOYSA-N	2	2	398.547	4.085	50	10		GICALP
CN(C)c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1	ZINC000000845945	206326429	/nfs/dbraw/zinc/32/64/29/206326429.db2.gz	DJGZUUGIHUCFEY-UHFFFAOYSA-N	2	2	377.536	4.200	50	10		GICALP
CCC[NH+](CCC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1	ZINC000004887882	570356350	/nfs/dbraw/zinc/35/63/50/570356350.db2.gz	LNHRJOPZBRGQKS-FQEVSTJZSA-N	2	2	398.576	4.217	50	10		GICALP
CCC[NH+](CCC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1	ZINC000004887882	570356353	/nfs/dbraw/zinc/35/63/53/570356353.db2.gz	LNHRJOPZBRGQKS-FQEVSTJZSA-N	2	2	398.576	4.217	50	10		GICALP
CCOC(=O)c1c(-c2ccccc2)oc2cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c21	ZINC000004322637	570367852	/nfs/dbraw/zinc/36/78/52/570367852.db2.gz	ITOIFNLYKDMKOA-UHFFFAOYSA-N	2	2	396.487	4.105	50	10		GICALP
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524731200	570765996	/nfs/dbraw/zinc/76/59/96/570765996.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	2	2	398.547	4.120	50	10		GICALP
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524731200	570766000	/nfs/dbraw/zinc/76/60/00/570766000.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	2	2	398.547	4.120	50	10		GICALP
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524731200	570766006	/nfs/dbraw/zinc/76/60/06/570766006.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	2	2	398.547	4.120	50	10		GICALP
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524731200	570766008	/nfs/dbraw/zinc/76/60/08/570766008.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	2	2	398.547	4.120	50	10		GICALP
C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734634	570512101	/nfs/dbraw/zinc/51/21/01/570512101.db2.gz	YDICPMBHHWNYNB-GJZGRUSLSA-N	2	2	381.358	4.097	50	10		GICALP
CCC[NH+](CCC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1	ZINC000002933685	209398216	/nfs/dbraw/zinc/39/82/16/209398216.db2.gz	LNHRJOPZBRGQKS-HXUWFJFHSA-N	2	2	398.576	4.217	50	10		GICALP
CCC[NH+](CCC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1	ZINC000002933685	209398219	/nfs/dbraw/zinc/39/82/19/209398219.db2.gz	LNHRJOPZBRGQKS-HXUWFJFHSA-N	2	2	398.576	4.217	50	10		GICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729936	570764307	/nfs/dbraw/zinc/76/43/07/570764307.db2.gz	OXMJGBKDZTURMI-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729936	570764310	/nfs/dbraw/zinc/76/43/10/570764310.db2.gz	OXMJGBKDZTURMI-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524729936	570764313	/nfs/dbraw/zinc/76/43/13/570764313.db2.gz	OXMJGBKDZTURMI-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524729936	570764314	/nfs/dbraw/zinc/76/43/14/570764314.db2.gz	OXMJGBKDZTURMI-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
Oc1ccc(Br)cc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000069374308	211035714	/nfs/dbraw/zinc/03/57/14/211035714.db2.gz	GJONCGJHWMLVOV-HNNXBMFYSA-N	2	2	381.339	4.143	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@@H]12	ZINC000526052469	570846096	/nfs/dbraw/zinc/84/60/96/570846096.db2.gz	HMIVXETYJNJTAJ-RXVVDRJESA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@@H]12	ZINC000526052469	570846101	/nfs/dbraw/zinc/84/61/01/570846101.db2.gz	HMIVXETYJNJTAJ-RXVVDRJESA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CC)C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000526052469	570846106	/nfs/dbraw/zinc/84/61/06/570846106.db2.gz	HMIVXETYJNJTAJ-RXVVDRJESA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CC)C[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000526052469	570846110	/nfs/dbraw/zinc/84/61/10/570846110.db2.gz	HMIVXETYJNJTAJ-RXVVDRJESA-N	2	2	398.547	4.147	50	10		GICALP
CC1(C)CC([NH2+]Cc2c(O)ccc3c4ccccc4c(=O)oc32)CC(C)(C)[NH2+]1	ZINC000006760055	570574789	/nfs/dbraw/zinc/57/47/89/570574789.db2.gz	LVSBOJMUTBPKCA-UHFFFAOYSA-N	2	2	380.488	4.051	50	10		GICALP
C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734632	570511876	/nfs/dbraw/zinc/51/18/76/570511876.db2.gz	YDICPMBHHWNYNB-GASCZTMLSA-N	2	2	381.358	4.097	50	10		GICALP
C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734632	570511871	/nfs/dbraw/zinc/51/18/71/570511871.db2.gz	YDICPMBHHWNYNB-GASCZTMLSA-N	2	2	381.358	4.097	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000526052463	570846203	/nfs/dbraw/zinc/84/62/03/570846203.db2.gz	HMIVXETYJNJTAJ-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000526052463	570846208	/nfs/dbraw/zinc/84/62/08/570846208.db2.gz	HMIVXETYJNJTAJ-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000526052463	570846211	/nfs/dbraw/zinc/84/62/11/570846211.db2.gz	HMIVXETYJNJTAJ-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH+](CC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000526052463	570846217	/nfs/dbraw/zinc/84/62/17/570846217.db2.gz	HMIVXETYJNJTAJ-GHTZIAJQSA-N	2	2	398.547	4.147	50	10		GICALP
C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000002493230	570503499	/nfs/dbraw/zinc/50/34/99/570503499.db2.gz	QZUYQXFBUVYYBM-UHFFFAOYSA-N	2	2	389.337	4.251	50	10		GICALP
C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000002493230	570503503	/nfs/dbraw/zinc/50/35/03/570503503.db2.gz	QZUYQXFBUVYYBM-UHFFFAOYSA-N	2	2	389.337	4.251	50	10		GICALP
Cc1ccc(-n2c(/C=C/[NH+](C)C)c([N+](=O)[O-])c3ccc(O)c(C[NH+](C)C)c32)cc1	ZINC000019334535	570976111	/nfs/dbraw/zinc/97/61/11/570976111.db2.gz	IZJMWZVDDPBOIN-OUKQBFOZSA-N	2	2	394.475	4.147	50	10		GICALP