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(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000216938163	206361368	/nfs/dbraw/zinc/36/13/68/206361368.db2.gz	GWGLMVPLAJLFMG-UHFFFAOYSA-N	1	0	365.455	0.679	40	70		FCIBRO
C[N@@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000216911244	206360708	/nfs/dbraw/zinc/36/07/08/206360708.db2.gz	ZVCKTPASTMLGFG-OAHLLOKOSA-N	1	0	351.472	0.861	40	70		FCIBRO
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2CC[NH+](C)CC2)C1	ZINC000217019572	206362050	/nfs/dbraw/zinc/36/20/50/206362050.db2.gz	YKGYPGHVUJPUBT-HNNXBMFYSA-N	1	0	360.524	0.353	40	70		FCIBRO
CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000216830851	519981653	/nfs/dbraw/zinc/98/16/53/519981653.db2.gz	DBBCBSUBXVQHAY-UHFFFAOYSA-N	1	0	369.487	0.964	40	70		FCIBRO
CN(C)S(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000216834679	521987858	/nfs/dbraw/zinc/98/78/58/521987858.db2.gz	KHYQHGHFCUKEPO-UHFFFAOYSA-N	1	0	355.460	0.526	40	70		FCIBRO
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC[NH+](C)C	ZINC000216864511	525541721	/nfs/dbraw/zinc/54/17/21/525541721.db2.gz	CFFWEOVDXRYGLB-UHFFFAOYSA-N	1	0	368.503	0.223	40	70		FCIBRO
COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216867758	488441490	/nfs/dbraw/zinc/44/14/90/488441490.db2.gz	RADVSCOOHFDOPU-CYBMUJFWSA-N	1	0	355.460	0.387	40	70		FCIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000216906784	488441902	/nfs/dbraw/zinc/44/19/02/488441902.db2.gz	MKWMUAPQWKJDKC-CQSZACIVSA-N	1	0	367.471	0.988	40	70		FCIBRO
C[NH+]1CCC(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000217030708	523771315	/nfs/dbraw/zinc/77/13/15/523771315.db2.gz	AUCUDBIFJHZNAH-UHFFFAOYSA-N	1	0	365.455	0.822	40	70		FCIBRO
C[NH+]1CCN(CCCNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1	ZINC000217014386	523896729	/nfs/dbraw/zinc/89/67/29/523896729.db2.gz	LSPABGVOXDTXLW-IYBDPMFKSA-N	1	0	362.474	0.081	40	70		FCIBRO
CN(Cc1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000218764000	488443343	/nfs/dbraw/zinc/44/33/43/488443343.db2.gz	ONGMZMIBNMLOGU-UHFFFAOYSA-N	1	0	369.487	0.667	40	70		FCIBRO
COc1cc(OC)cc(OCC(=O)NCCCN2CC[NH+](C)CC2)c1	ZINC000217010449	522869642	/nfs/dbraw/zinc/86/96/42/522869642.db2.gz	JRPDBCCMNNKCGQ-UHFFFAOYSA-N	1	0	351.447	0.836	40	70		FCIBRO
COCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216853901	488441613	/nfs/dbraw/zinc/44/16/13/488441613.db2.gz	AEWKAVGJSBITRF-UHFFFAOYSA-N	1	0	355.460	0.307	40	70		FCIBRO
Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216853784	488441748	/nfs/dbraw/zinc/44/17/48/488441748.db2.gz	SZBMDWUBPJWBRR-UHFFFAOYSA-N	1	0	367.471	0.404	40	70		FCIBRO
CN(Cc1ccc(/C=C/C(=O)NC2CC[NH+](C)CC2)o1)S(C)(=O)=O	ZINC000216843526	523196757	/nfs/dbraw/zinc/19/67/57/523196757.db2.gz	AWZLGKSWQVUDMH-VOTSOKGWSA-N	1	0	355.460	0.895	40	70		FCIBRO
C[N@@H+]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1	ZINC000216911275	488441497	/nfs/dbraw/zinc/44/14/97/488441497.db2.gz	ZVCKTPASTMLGFG-HNNXBMFYSA-N	1	0	351.472	0.861	40	70		FCIBRO
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2CC[NH+](C)CC2)C1	ZINC000217019534	488441713	/nfs/dbraw/zinc/44/17/13/488441713.db2.gz	YKGYPGHVUJPUBT-OAHLLOKOSA-N	1	0	360.524	0.353	40	70		FCIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000216906815	488441962	/nfs/dbraw/zinc/44/19/62/488441962.db2.gz	MKWMUAPQWKJDKC-AWEZNQCLSA-N	1	0	367.471	0.988	40	70		FCIBRO
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000216829454	519733268	/nfs/dbraw/zinc/73/32/68/519733268.db2.gz	VVFTZUUVXLZFEN-UHFFFAOYSA-N	1	0	369.487	0.963	40	70		FCIBRO
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785875	488441634	/nfs/dbraw/zinc/44/16/34/488441634.db2.gz	CAMYOMQNPZCOPG-UHFFFAOYSA-N	1	0	367.471	0.867	40	70		FCIBRO
COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216858906	488441829	/nfs/dbraw/zinc/44/18/29/488441829.db2.gz	DLHCXFUWPFDLNW-CQSZACIVSA-N	1	0	369.487	0.696	40	70		FCIBRO
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC1CC[NH+](C)CC1	ZINC000216837147	525390551	/nfs/dbraw/zinc/39/05/51/525390551.db2.gz	QGRGAJSOSNPRQN-UHFFFAOYSA-N	1	0	369.487	0.835	40	70		FCIBRO