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)[C@](O)(C(=O)O[C@@H]1CC[N@H+]2CC[C@@H](CO)[C@@H]12)[C@H](C)O	ZINC000005765522	181281972	/nfs/dbraw/zinc/28/19/72/181281972.db2.gz	VHBFIBCAIUIJQC-DKBOKBLXSA-N	1	1	301.383	-0.247	1	0		DBAFMO
CC(C)[C@@](O)(C(=O)OC[C@H]1CC[N@H+]2CC[C@@H](O)[C@@H]12)[C@H](C)O	ZINC000039085817	183014357	/nfs/dbraw/zinc/01/43/57/183014357.db2.gz	NMPPLGMVCCNRTJ-BGPZULBFSA-N	1	1	301.383	-0.247	1	0		DBAFMO
O=S1(=O)C[C@H](N2CC[NH+](CCO)CC2)CN1C1CCCC1	ZINC000095598881	185382436	/nfs/dbraw/zinc/38/24/36/185382436.db2.gz	PNPLZWYABQPZGD-CQSZACIVSA-N	1	1	317.455	-0.447	3	0		DBAFMO
CC[N@H+]1CCN(C)C[C@@H](NC(=O)c2cnc(NC)nc2OC)C1	ZINC000022928240	182342301	/nfs/dbraw/zinc/34/23/01/182342301.db2.gz	IYWHZVYLRFYZLP-LLVKDONJSA-N	1	1	322.413	-0.107	1	0		DBAFMO
CCN1CC[N@H+](C)C[C@@H](NC(=O)c2cnc(NC)nc2OC)C1	ZINC000022928240	182342306	/nfs/dbraw/zinc/34/23/06/182342306.db2.gz	IYWHZVYLRFYZLP-LLVKDONJSA-N	1	1	322.413	-0.107	1	0		DBAFMO
CCN1CC[N@@H+](C)C[C@@H](NC(=O)c2cnc(NC)nc2OC)C1	ZINC000022928240	182342308	/nfs/dbraw/zinc/34/23/08/182342308.db2.gz	IYWHZVYLRFYZLP-LLVKDONJSA-N	1	1	322.413	-0.107	1	0		DBAFMO
NC(=O)c1nonc1CN[C@@H](c1cnc[nH]1)C1CC[NH2+]CC1	ZINC000040873856	183145550	/nfs/dbraw/zinc/14/55/50/183145550.db2.gz	XFHBELVNLMZXEX-LLVKDONJSA-N	1	1	305.342	-0.278	1	0		DBAFMO
COCCn1c(=O)cnc2cnc(N3CC[NH+](C)CC3)nc21	ZINC000004238713	134458921	/nfs/dbraw/zinc/45/89/21/134458921.db2.gz	HKAAPKPADYSGNF-UHFFFAOYSA-N	1	1	304.354	-0.415	1	0	aggregator	DBAFMO
CCCCN1C[C@@H](N2CC[NH+](CCO)CC2)CS1(=O)=O	ZINC000072139738	191048183	/nfs/dbraw/zinc/04/81/83/191048183.db2.gz	RGHDWDDSYHBTLJ-CYBMUJFWSA-N	1	1	305.444	-0.590	3	0		DBAFMO
CCCCN1C[C@H](N2CC[NH+](CCO)CC2)CS1(=O)=O	ZINC000072139737	191048309	/nfs/dbraw/zinc/04/83/09/191048309.db2.gz	RGHDWDDSYHBTLJ-ZDUSSCGKSA-N	1	1	305.444	-0.590	3	0		DBAFMO
NC(=O)c1nonc1CN[C@H](c1cnc[nH]1)C1CC[NH2+]CC1	ZINC000040873858	183145220	/nfs/dbraw/zinc/14/52/20/183145220.db2.gz	XFHBELVNLMZXEX-NSHDSACASA-N	1	1	305.342	-0.278	1	0		DBAFMO
CCC(O)(CC)CCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000066099033	184389228	/nfs/dbraw/zinc/38/92/28/184389228.db2.gz	MKYWZDHWBYFRAZ-LXTVHRRPSA-N	1	1	319.442	-0.143	1	0		DBAFMO
CC(C)[C@@](O)(C(=O)O[C@@H]1CC[N@H+]2CC[C@@H](CO)[C@@H]12)[C@H](C)O	ZINC000017175573	182078750	/nfs/dbraw/zinc/07/87/50/182078750.db2.gz	VHBFIBCAIUIJQC-AIUMHDJVSA-N	1	1	301.383	-0.247	1	0		DBAFMO
CCc1nn(CC(=O)N2CC[NH+](C)CC2)c(=O)c2cccn21	ZINC000020467223	182220670	/nfs/dbraw/zinc/22/06/70/182220670.db2.gz	RSJVXVHTBDFOLM-UHFFFAOYSA-N	1	1	303.366	-0.168	3	0		DBAFMO
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N@H+]2CC[C@H](O)[C@@H]12)[C@@H](C)O	ZINC000085532048	560073110	/nfs/dbraw/zinc/07/31/10/560073110.db2.gz	NMPPLGMVCCNRTJ-KDBYPZKRSA-N	1	1	301.383	-0.247	1	0	biogenic,in-vitro	DBAFMO
CC(C)[C@@](O)(C(=O)O[C@@H]1CC[N@H+]2CC[C@@H](CO)[C@@H]12)[C@@H](C)O	ZINC000017175572	182078428	/nfs/dbraw/zinc/07/84/28/182078428.db2.gz	VHBFIBCAIUIJQC-JYKNGBAOSA-N	1	1	301.383	-0.247	1	0		DBAFMO
O=S1(=O)C[C@@H](N2CC[NH+](CCO)CC2)CN1C1CCCC1	ZINC000095598880	185382419	/nfs/dbraw/zinc/38/24/19/185382419.db2.gz	PNPLZWYABQPZGD-AWEZNQCLSA-N	1	1	317.455	-0.447	3	0		DBAFMO
CC(C)[C@](O)(C(=O)O[C@H]1CC[N@H+]2CC[C@@H](CO)[C@@H]12)[C@@H](C)O	ZINC000058482429	184119901	/nfs/dbraw/zinc/11/99/01/184119901.db2.gz	VHBFIBCAIUIJQC-HYFYGGESSA-N	1	1	301.383	-0.247	1	0		DBAFMO
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCSC	ZINC000096921286	185391736	/nfs/dbraw/zinc/39/17/36/185391736.db2.gz	YXYLWAIFXDRBQA-VHSXEESVSA-N	1	1	300.384	-0.310	1	0		DBAFMO
CC(C)[C@](O)(C(=O)O[C@@H]1CC[N@H+]2CC[C@@H](CO)[C@@H]12)[C@@H](C)O	ZINC000017175571	182078947	/nfs/dbraw/zinc/07/89/47/182078947.db2.gz	VHBFIBCAIUIJQC-GEJOOGBSSA-N	1	1	301.383	-0.247	1	0		DBAFMO
Nc1ncnc2c(C[N@H+]3C[C@H](O)[C@@H](n4ccnn4)C3)c[nH]c21	ZINC000064574017	184300617	/nfs/dbraw/zinc/30/06/17/184300617.db2.gz	KFCKLNHKFVUNCF-UWVGGRQHSA-N	1	1	300.326	-0.451	1	0		DBAFMO