smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N+]12CCN(CC1)CC2	ZINC000015454147	717111986	/nfs/dbraw/zinc/11/19/86/717111986.db2.gz	KEOZUHRZFVLSPL-AWEZNQCLSA-O	1	0	367.495	-0.473	10	30		FBEERO
C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N+]12CCN(CC1)CC2	ZINC000015454148	717111689	/nfs/dbraw/zinc/11/16/89/717111689.db2.gz	KEOZUHRZFVLSPL-CQSZACIVSA-O	1	0	367.495	-0.473	10	30		FBEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000073776014	660474054	/nfs/dbraw/zinc/47/40/54/660474054.db2.gz	GKSJBKCDYJPQKU-QWRGUYRKSA-N	1	0	352.357	-0.192	10	30		FBEERO
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000073776017	660474036	/nfs/dbraw/zinc/47/40/36/660474036.db2.gz	GKSJBKCDYJPQKU-MNOVXSKESA-N	1	0	352.357	-0.192	10	30		FBEERO
CCCCCCCC[C@](O)(C(=O)NCCC[NH3+])[C@H](O)[C@H](O)[C@H](O)CO	ZINC000103824232	222343644	/nfs/dbraw/zinc/34/36/44/222343644.db2.gz	CFMLCKCCRZCACA-KCYZZUKISA-N	1	0	364.483	-0.992	10	30		FBEERO
CCCCCCCC[C@@](O)(C(=O)NCCC[NH3+])[C@H](O)[C@H](O)[C@H](O)CO	ZINC000103824234	209256938	/nfs/dbraw/zinc/25/69/38/209256938.db2.gz	CFMLCKCCRZCACA-ANQUJSFKSA-N	1	0	364.483	-0.992	10	30		FBEERO
CCCCCCCC[C@](O)(C(=O)NCCC[NH3+])[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000103824237	222344238	/nfs/dbraw/zinc/34/42/38/222344238.db2.gz	CFMLCKCCRZCACA-PNBKFKSVSA-N	1	0	364.483	-0.992	10	30		FBEERO
CCCCCCCC[C@@](O)(C(=O)NCCC[NH3+])[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000103824241	222343510	/nfs/dbraw/zinc/34/35/10/222343510.db2.gz	CFMLCKCCRZCACA-AIANPOQGSA-N	1	0	364.483	-0.992	10	30		FBEERO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000124985685	661508978	/nfs/dbraw/zinc/50/89/78/661508978.db2.gz	YGUAPBLYDFZYGQ-LLVKDONJSA-N	1	0	357.484	-0.570	10	30		FBEERO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000124985925	661508876	/nfs/dbraw/zinc/50/88/76/661508876.db2.gz	YGUAPBLYDFZYGQ-NSHDSACASA-N	1	0	357.484	-0.570	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CCc2nc(COC)nn2C1	ZINC000159129492	661735281	/nfs/dbraw/zinc/73/52/81/661735281.db2.gz	AOVJHBBUYQVMQC-CHWSQXEVSA-N	1	0	351.455	-0.765	10	30		FBEERO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000176158837	657480490	/nfs/dbraw/zinc/48/04/90/657480490.db2.gz	PSPHCYFWTPCHBN-LLVKDONJSA-N	1	0	357.484	-0.570	10	30		FBEERO
C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000176158850	657986051	/nfs/dbraw/zinc/98/60/51/657986051.db2.gz	PSPHCYFWTPCHBN-NSHDSACASA-N	1	0	357.484	-0.570	10	30		FBEERO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179082018	659881629	/nfs/dbraw/zinc/88/16/29/659881629.db2.gz	YGDDLAIEQXHFIU-DLBZAZTESA-N	1	0	353.511	-0.063	10	30		FBEERO
CNC(=O)[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000183689116	483558756	/nfs/dbraw/zinc/55/87/56/483558756.db2.gz	NPIVHTOVCHUBQJ-OAHLLOKOSA-N	1	0	362.434	-0.137	10	30		FBEERO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245754588	657728562	/nfs/dbraw/zinc/72/85/62/657728562.db2.gz	YGDDLAIEQXHFIU-IAGOWNOFSA-N	1	0	353.511	-0.063	10	30		FBEERO
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)CC1	ZINC000248393822	484894472	/nfs/dbraw/zinc/89/44/72/484894472.db2.gz	MHAMANCSRKDOSB-QLFBSQMISA-N	1	0	364.471	-0.116	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CCc2nc(COC)nn2C1	ZINC000261656739	658910749	/nfs/dbraw/zinc/91/07/49/658910749.db2.gz	AOVJHBBUYQVMQC-QWHCGFSZSA-N	1	0	351.455	-0.765	10	30		FBEERO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCc2ncnn2C1	ZINC000261675056	658912204	/nfs/dbraw/zinc/91/22/04/658912204.db2.gz	PQKUPQSESITRJA-CYBMUJFWSA-N	1	0	369.495	-0.571	10	30		FBEERO
C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CCc2ncnn2C1	ZINC000261675059	658912795	/nfs/dbraw/zinc/91/27/95/658912795.db2.gz	PQKUPQSESITRJA-ZDUSSCGKSA-N	1	0	369.495	-0.571	10	30		FBEERO
CC[NH+]=C(NC[C@H]1CN(C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717071	658923573	/nfs/dbraw/zinc/92/35/73/658923573.db2.gz	KKZXDDNNOWWVRX-AWEZNQCLSA-N	1	0	354.499	-0.836	10	30		FBEERO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C(C)(C)C(N)=O)CC1	ZINC000261717075	658923610	/nfs/dbraw/zinc/92/36/10/658923610.db2.gz	KKZXDDNNOWWVRX-CQSZACIVSA-N	1	0	354.499	-0.836	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000262513898	659880321	/nfs/dbraw/zinc/88/03/21/659880321.db2.gz	CEFRGNSQIUXJET-CABCVRRESA-N	1	0	353.467	-0.784	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000262513912	659880392	/nfs/dbraw/zinc/88/03/92/659880392.db2.gz	CEFRGNSQIUXJET-HUUCEWRRSA-N	1	0	353.467	-0.784	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC000262790792	659904876	/nfs/dbraw/zinc/90/48/76/659904876.db2.gz	NUIQWKPHXGWTBH-HOTGVXAUSA-N	1	0	351.495	-0.037	10	30		FBEERO
C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCN(CC(=O)N2CCCC2)CC1	ZINC000262790796	659904856	/nfs/dbraw/zinc/90/48/56/659904856.db2.gz	NUIQWKPHXGWTBH-JKSUJKDBSA-N	1	0	351.495	-0.037	10	30		FBEERO
C#CC[NH2+]CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	ZINC000306146197	263468208	/nfs/dbraw/zinc/46/82/08/263468208.db2.gz	CHLIFODILFXXNH-UHFFFAOYSA-N	1	0	356.375	-0.744	10	30		FBEERO