smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216918435	292335830	/nfs/dbraw/zinc/33/58/30/292335830.db2.gz	VBVAZWQXZUSKGA-HOCLYGCPSA-N	1	1	316.445	3.055	40	70		DGIBMO
COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216915299	432651935	/nfs/dbraw/zinc/65/19/35/432651935.db2.gz	YBHKADYFCXOVGR-FUHWJXTLSA-N	1	1	318.461	3.240	40	70		DGIBMO
Cc1cccc(CSCCCNC(=O)[C@@H]2CCC[N@H+](C)C2)c1	ZINC000216916709	432652929	/nfs/dbraw/zinc/65/29/29/432652929.db2.gz	IPSFXZVVMZSWAS-QGZVFWFLSA-N	1	1	320.502	3.076	40	70		DGIBMO
C[C@H](CNC(=O)[C@H]1CCC[N@@H+](C)C1)Cc1cccc2ccccc21	ZINC000216917441	432653249	/nfs/dbraw/zinc/65/32/49/432653249.db2.gz	MBZUSGALRWJQQZ-LPHOPBHVSA-N	1	1	324.468	3.476	40	70		DGIBMO
C[NH+]1CCN(c2cc(Nc3cccc4ccccc43)ncn2)CC1	ZINC000216846327	432653373	/nfs/dbraw/zinc/65/33/73/432653373.db2.gz	FSZFSUJFDWPHAQ-UHFFFAOYSA-N	1	1	319.412	3.125	40	70		DGIBMO
Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)CC(C)(C)O2	ZINC000216918343	292365531	/nfs/dbraw/zinc/36/55/31/292365531.db2.gz	VHHKZSUKNVZFCU-GOEBONIOSA-N	1	1	316.445	3.055	40	70		DGIBMO
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](C)C1)Cc1cccc2ccccc21	ZINC000216917389	432653209	/nfs/dbraw/zinc/65/32/09/432653209.db2.gz	MBZUSGALRWJQQZ-QFBILLFUSA-N	1	1	324.468	3.476	40	70		DGIBMO
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216918408	292336548	/nfs/dbraw/zinc/33/65/48/292336548.db2.gz	VBVAZWQXZUSKGA-GDBMZVCRSA-N	1	1	316.445	3.055	40	70		DGIBMO
C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216917865	432652650	/nfs/dbraw/zinc/65/26/50/432652650.db2.gz	GVQYIVHOEXLIRK-CVEARBPZSA-N	1	1	302.462	3.201	40	70		DGIBMO
Cc1cccc(CSCCCNC(=O)[C@H]2CCC[N@H+](C)C2)c1	ZINC000216916734	432652173	/nfs/dbraw/zinc/65/21/73/432652173.db2.gz	IPSFXZVVMZSWAS-KRWDZBQOSA-N	1	1	320.502	3.076	40	70		DGIBMO
C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216917813	298326609	/nfs/dbraw/zinc/32/66/09/298326609.db2.gz	GVQYIVHOEXLIRK-HZPDHXFCSA-N	1	1	302.462	3.201	40	70		DGIBMO
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)CC(C)(C)O2	ZINC000216918290	432652092	/nfs/dbraw/zinc/65/20/92/432652092.db2.gz	VHHKZSUKNVZFCU-GDBMZVCRSA-N	1	1	316.445	3.055	40	70		DGIBMO
C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](C)C1)Cc1cccc2ccccc21	ZINC000216917417	432653148	/nfs/dbraw/zinc/65/31/48/432653148.db2.gz	MBZUSGALRWJQQZ-APWZRJJASA-N	1	1	324.468	3.476	40	70		DGIBMO
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216917790	432652252	/nfs/dbraw/zinc/65/22/52/432652252.db2.gz	GVQYIVHOEXLIRK-JKSUJKDBSA-N	1	1	302.462	3.201	40	70		DGIBMO
Cc1ccccc1CSCCCNC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216916649	432652897	/nfs/dbraw/zinc/65/28/97/432652897.db2.gz	YZCCITVQRBTDDJ-MRXNPFEDSA-N	1	1	320.502	3.076	40	70		DGIBMO
Cc1ccc(CSCCCNC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216916803	432652485	/nfs/dbraw/zinc/65/24/85/432652485.db2.gz	PKPGYMQFKBCQTL-KRWDZBQOSA-N	1	1	320.502	3.076	40	70		DGIBMO
CC(C)c1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1	ZINC000216846285	432653413	/nfs/dbraw/zinc/65/34/13/432653413.db2.gz	KIUPAPBMOQKSMD-UHFFFAOYSA-N	1	1	311.433	3.095	40	70		DGIBMO
COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216915273	432653591	/nfs/dbraw/zinc/65/35/91/432653591.db2.gz	YBHKADYFCXOVGR-AEFFLSMTSA-N	1	1	318.461	3.240	40	70		DGIBMO
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216918465	292336251	/nfs/dbraw/zinc/33/62/51/292336251.db2.gz	VBVAZWQXZUSKGA-GOEBONIOSA-N	1	1	316.445	3.055	40	70		DGIBMO
COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000216915327	295240018	/nfs/dbraw/zinc/24/00/18/295240018.db2.gz	YBHKADYFCXOVGR-WMZOPIPTSA-N	1	1	318.461	3.240	40	70		DGIBMO
Cc1ccccc1CSCCCNC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216916671	432652214	/nfs/dbraw/zinc/65/22/14/432652214.db2.gz	YZCCITVQRBTDDJ-INIZCTEOSA-N	1	1	320.502	3.076	40	70		DGIBMO
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216917840	432653567	/nfs/dbraw/zinc/65/35/67/432653567.db2.gz	GVQYIVHOEXLIRK-HOTGVXAUSA-N	1	1	302.462	3.201	40	70		DGIBMO
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)CC(C)(C)O2	ZINC000216918260	281086941	/nfs/dbraw/zinc/08/69/41/281086941.db2.gz	VHHKZSUKNVZFCU-ZBFHGGJFSA-N	1	1	316.445	3.055	40	70		DGIBMO
C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](C)C1)Cc1cccc2ccccc21	ZINC000216917362	432652844	/nfs/dbraw/zinc/65/28/44/432652844.db2.gz	MBZUSGALRWJQQZ-VQIMIIECSA-N	1	1	324.468	3.476	40	70		DGIBMO
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)CC(C)(C)O2	ZINC000216918314	292349689	/nfs/dbraw/zinc/34/96/89/292349689.db2.gz	VHHKZSUKNVZFCU-HOCLYGCPSA-N	1	1	316.445	3.055	40	70		DGIBMO
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216918381	292336010	/nfs/dbraw/zinc/33/60/10/292336010.db2.gz	VBVAZWQXZUSKGA-ZBFHGGJFSA-N	1	1	316.445	3.055	40	70		DGIBMO
Cc1ccc(CSCCCNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216916776	432652999	/nfs/dbraw/zinc/65/29/99/432652999.db2.gz	PKPGYMQFKBCQTL-QGZVFWFLSA-N	1	1	320.502	3.076	40	70		DGIBMO
COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000216915248	432653055	/nfs/dbraw/zinc/65/30/55/432653055.db2.gz	YBHKADYFCXOVGR-SJLPKXTDSA-N	1	1	318.461	3.240	40	70		DGIBMO