smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1(CNC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CCCCC1	ZINC000159504454	197358861	/nfs/dbraw/zinc/35/88/61/197358861.db2.gz	ZFNUWLUFZGHSAW-DLBZAZTESA-N	1	0	316.445	2.932	10	70		DFIERO
[NH3+]C1(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)CCCCC1	ZINC000159504575	283405911	/nfs/dbraw/zinc/40/59/11/283405911.db2.gz	ZFNUWLUFZGHSAW-IRXDYDNUSA-N	1	0	316.445	2.932	10	70		DFIERO
CCC([NH3+])(CC)CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	ZINC000160446211	197411335	/nfs/dbraw/zinc/41/13/35/197411335.db2.gz	RFFCZFNVXBSXNY-HOTGVXAUSA-N	1	0	304.434	2.788	10	70		DFIERO
CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000160000482	197379000	/nfs/dbraw/zinc/37/90/00/197379000.db2.gz	WJBWWRKXNIQLQR-UWVGGRQHSA-N	1	0	301.217	2.950	10	70		DFIERO
C[C@H](NC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1	ZINC000160069102	197383387	/nfs/dbraw/zinc/38/33/87/197383387.db2.gz	UDQRTKSTCFVQDQ-TVYUQYBPSA-N	1	0	311.223	2.754	10	70		DFIERO
COc1ccc2cc([C@@H](C)C(=O)N3CCC[C@@H]3C[NH3+])ccc2c1	ZINC000160193355	267536409	/nfs/dbraw/zinc/53/64/09/267536409.db2.gz	KKEGMRPZUOHLKV-CXAGYDPISA-N	1	0	312.413	2.902	10	70		DFIERO
CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000160000071	197378502	/nfs/dbraw/zinc/37/85/02/197378502.db2.gz	WJBWWRKXNIQLQR-NXEZZACHSA-N	1	0	301.217	2.950	10	70		DFIERO
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@H+](C)CCCC(=O)[O-]	ZINC000159525826	197361044	/nfs/dbraw/zinc/36/10/44/197361044.db2.gz	RXSKQAOZKFSEOG-HOTGVXAUSA-N	1	0	318.461	2.940	10	70		DFIERO
C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1	ZINC000160068962	197383153	/nfs/dbraw/zinc/38/31/53/197383153.db2.gz	UDQRTKSTCFVQDQ-ZWKOPEQDSA-N	1	0	311.223	2.754	10	70		DFIERO
C#CCCCCOC(=O)c1ccc(CN2CCC([NH3+])CC2)cc1	ZINC000217958371	426566163	/nfs/dbraw/zinc/56/61/63/426566163.db2.gz	LPRWRFATKJXRFW-UHFFFAOYSA-N	1	0	314.429	2.570	10	70		DFIERO
CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000160000197	197378439	/nfs/dbraw/zinc/37/84/39/197378439.db2.gz	WJBWWRKXNIQLQR-ZJUUUORDSA-N	1	0	301.217	2.950	10	70		DFIERO
O=C(Nc1ccc(OC(F)(F)F)cc1)C1(F)CC[NH2+]CC1	ZINC000218267204	398345982	/nfs/dbraw/zinc/34/59/82/398345982.db2.gz	WWYHMBIHAGAZIU-UHFFFAOYSA-N	1	0	306.259	2.615	10	70		DFIERO
O=C(NC1CC[NH2+]CC1)OCc1cc(Cl)cc(Cl)c1	ZINC000217416489	426563679	/nfs/dbraw/zinc/56/36/79/426563679.db2.gz	SYYQEUGHXKXNMO-UHFFFAOYSA-N	1	0	303.189	2.972	10	70		DFIERO
COCCCOc1cc([C@@H](C)[NH2+]C2CC2)ccc1C(=O)OC	ZINC000218662132	398346130	/nfs/dbraw/zinc/34/61/30/398346130.db2.gz	HTLPBRXXTWQSEG-GFCCVEGCSA-N	1	0	307.390	2.702	10	70		DFIERO
CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000159785854	197364120	/nfs/dbraw/zinc/36/41/20/197364120.db2.gz	CNVDMUFRHVQRHE-BRWVUGGUSA-N	1	0	304.434	2.788	10	70		DFIERO
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@H+](C)CCCC(=O)[O-]	ZINC000159525950	197361064	/nfs/dbraw/zinc/36/10/64/197361064.db2.gz	RXSKQAOZKFSEOG-HZPDHXFCSA-N	1	0	318.461	2.940	10	70		DFIERO
CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000159786116	197364015	/nfs/dbraw/zinc/36/40/15/197364015.db2.gz	CNVDMUFRHVQRHE-IXDOHACOSA-N	1	0	304.434	2.788	10	70		DFIERO
COCCCOc1cc([C@H](C)[NH2+]C2CC2)ccc1C(=O)OC	ZINC000218662045	398346166	/nfs/dbraw/zinc/34/61/66/398346166.db2.gz	HTLPBRXXTWQSEG-LBPRGKRZSA-N	1	0	307.390	2.702	10	70		DFIERO
CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000160000346	197378677	/nfs/dbraw/zinc/37/86/77/197378677.db2.gz	WJBWWRKXNIQLQR-VHSXEESVSA-N	1	0	301.217	2.950	10	70		DFIERO