smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(CC(=O)Nc2ccc(OC3CCCC3)cc2)CC1	ZINC000216900642	563712007	/nfs/dbraw/zinc/71/20/07/563712007.db2.gz	OGJXJHVPCVMLMB-UHFFFAOYSA-N	1	0	316.445	3.678	40	70		DHIBRO
Cc1ccccc1[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915407	563712294	/nfs/dbraw/zinc/71/22/94/563712294.db2.gz	PSDYAQSIKRNVSU-ICSRJNTNSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915359	563711807	/nfs/dbraw/zinc/71/18/07/563711807.db2.gz	PSDYAQSIKRNVSU-QUCCMNQESA-N	1	0	322.452	3.542	40	70		DHIBRO
CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C)c(C)c1	ZINC000216905254	563712190	/nfs/dbraw/zinc/71/21/90/563712190.db2.gz	GBSWOYRMVPVJIA-GOSISDBHSA-N	1	0	302.462	3.603	40	70		DHIBRO
C[NH+]1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1	ZINC000216921340	563711664	/nfs/dbraw/zinc/71/16/64/563711664.db2.gz	UKRJFEJQEPMUSG-UHFFFAOYSA-N	1	0	321.635	3.927	40	70		DHIBRO
Cc1ccccc1[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1	ZINC000216923057	563711906	/nfs/dbraw/zinc/71/19/06/563711906.db2.gz	CGMLNNPWCYTUGF-HXUWFJFHSA-N	1	0	322.452	3.542	40	70		DHIBRO
C[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1	ZINC000216912039	563711952	/nfs/dbraw/zinc/71/19/52/563711952.db2.gz	SXKWXPOYLOYPMT-HOCLYGCPSA-N	1	0	302.462	3.503	40	70		DHIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1	ZINC000216910810	563712095	/nfs/dbraw/zinc/71/20/95/563712095.db2.gz	PKJHCOKPGNLPCX-QMMMGPOBSA-N	1	0	321.635	3.927	40	70		DHIBRO
CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C)c(C)c1	ZINC000216905288	563712025	/nfs/dbraw/zinc/71/20/25/563712025.db2.gz	GBSWOYRMVPVJIA-SFHVURJKSA-N	1	0	302.462	3.603	40	70		DHIBRO
Cc1cccc([C@H](NC(=O)[C@H]2CCC[N@@H+](C)C2)c2ccccc2)c1	ZINC000216918784	563711943	/nfs/dbraw/zinc/71/19/43/563711943.db2.gz	FIOMOFPYXWBSGX-VQTJNVASSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1cccc([C@@H](NC(=O)[C@H]2CCC[N@@H+](C)C2)c2ccccc2)c1	ZINC000216918761	563712304	/nfs/dbraw/zinc/71/23/04/563712304.db2.gz	FIOMOFPYXWBSGX-PMACEKPBSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000216923108	563712252	/nfs/dbraw/zinc/71/22/52/563712252.db2.gz	AGNQGSGJEZUBIH-HXUWFJFHSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccccc1[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915433	563712272	/nfs/dbraw/zinc/71/22/72/563712272.db2.gz	PSDYAQSIKRNVSU-AZUAARDMSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccc([C@H](NC(=O)[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1	ZINC000216915540	201503996	/nfs/dbraw/zinc/50/39/96/201503996.db2.gz	TUFWIVGSMPBYJX-VQTJNVASSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1cccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000216924685	563711704	/nfs/dbraw/zinc/71/17/04/563711704.db2.gz	FIPRAUWFAKKNHL-HXUWFJFHSA-N	1	0	322.452	3.542	40	70		DHIBRO
C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000216898633	563712151	/nfs/dbraw/zinc/71/21/51/563712151.db2.gz	SMKBMUWOJRZJKP-OAHLLOKOSA-N	1	0	316.489	3.893	40	70		DHIBRO
C[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1	ZINC000216912017	563711831	/nfs/dbraw/zinc/71/18/31/563711831.db2.gz	SXKWXPOYLOYPMT-ZBFHGGJFSA-N	1	0	302.462	3.503	40	70		DHIBRO
Cc1ccccc1[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1	ZINC000216923033	563712133	/nfs/dbraw/zinc/71/21/33/563712133.db2.gz	CGMLNNPWCYTUGF-FQEVSTJZSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccc([C@@H](NC(=O)[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1	ZINC000216915516	563712121	/nfs/dbraw/zinc/71/21/21/563712121.db2.gz	TUFWIVGSMPBYJX-PMACEKPBSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccc([C@H](NC(=O)[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1	ZINC000216915492	563712296	/nfs/dbraw/zinc/71/22/96/563712296.db2.gz	TUFWIVGSMPBYJX-WOJBJXKFSA-N	1	0	322.452	3.542	40	70		DHIBRO
CC(C)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1	ZINC000216902063	563711858	/nfs/dbraw/zinc/71/18/58/563711858.db2.gz	BTEIICSEPWFFCX-GOSISDBHSA-N	1	0	302.462	3.622	40	70		DHIBRO
Cc1cccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)c1	ZINC000216918709	563711739	/nfs/dbraw/zinc/71/17/39/563711739.db2.gz	FIOMOFPYXWBSGX-UXHICEINSA-N	1	0	322.452	3.542	40	70		DHIBRO
CC(C)C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1	ZINC000216902100	563712298	/nfs/dbraw/zinc/71/22/98/563712298.db2.gz	BTEIICSEPWFFCX-SFHVURJKSA-N	1	0	302.462	3.622	40	70		DHIBRO
Cc1ccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000216923086	563712157	/nfs/dbraw/zinc/71/21/57/563712157.db2.gz	AGNQGSGJEZUBIH-FQEVSTJZSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1cccc([C@H](NC(=O)[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)c1	ZINC000216918736	563712197	/nfs/dbraw/zinc/71/21/97/563712197.db2.gz	FIOMOFPYXWBSGX-WOJBJXKFSA-N	1	0	322.452	3.542	40	70		DHIBRO
CSc1ccc(C[NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)cc1	ZINC000217947284	563715214	/nfs/dbraw/zinc/71/52/14/563715214.db2.gz	RPTOKXUCCSHRLQ-YJEJQGFLSA-N	1	0	303.471	3.582	40	70		DHIBRO
C[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1	ZINC000216911987	563712167	/nfs/dbraw/zinc/71/21/67/563712167.db2.gz	SXKWXPOYLOYPMT-GOEBONIOSA-N	1	0	302.462	3.503	40	70		DHIBRO
C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)C)cc1	ZINC000216911949	563712043	/nfs/dbraw/zinc/71/20/43/563712043.db2.gz	SXKWXPOYLOYPMT-GDBMZVCRSA-N	1	0	302.462	3.503	40	70		DHIBRO
Cc1ccccc1[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915381	563712129	/nfs/dbraw/zinc/71/21/29/563712129.db2.gz	PSDYAQSIKRNVSU-UYAOXDASSA-N	1	0	322.452	3.542	40	70		DHIBRO
C[NH+]1CCC(CC(=O)NC(c2ccccc2)c2ccccc2)CC1	ZINC000216897540	563712185	/nfs/dbraw/zinc/71/21/85/563712185.db2.gz	AJRGWWHJUMYWQD-UHFFFAOYSA-N	1	0	322.452	3.624	40	70		DHIBRO
Cc1cccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc2)c1	ZINC000216924667	563711980	/nfs/dbraw/zinc/71/19/80/563711980.db2.gz	FIPRAUWFAKKNHL-FQEVSTJZSA-N	1	0	322.452	3.542	40	70		DHIBRO
Cc1ccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1	ZINC000216915466	563712260	/nfs/dbraw/zinc/71/22/60/563712260.db2.gz	TUFWIVGSMPBYJX-UXHICEINSA-N	1	0	322.452	3.542	40	70		DHIBRO
CC(C)Sc1ccccc1C(=O)NCCC1CC[NH+](C)CC1	ZINC000217036953	563712585	/nfs/dbraw/zinc/71/25/85/563712585.db2.gz	XMYPONJLIZIESU-UHFFFAOYSA-N	1	0	320.502	3.649	40	70		DHIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1	ZINC000216910779	563712057	/nfs/dbraw/zinc/71/20/57/563712057.db2.gz	PKJHCOKPGNLPCX-MRVPVSSYSA-N	1	0	321.635	3.927	40	70		DHIBRO
C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000216898668	563712311	/nfs/dbraw/zinc/71/23/11/563712311.db2.gz	SMKBMUWOJRZJKP-HNNXBMFYSA-N	1	0	316.489	3.893	40	70		DHIBRO