smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1F	ZINC000159371161	261185002	/nfs/dbraw/zinc/18/50/02/261185002.db2.gz	FYIKGMXTCJJUIC-SJCJKPOMSA-N	1	1	290.357	4.552	20	70		CJIDMO
CCC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1F	ZINC000159371262	261185151	/nfs/dbraw/zinc/18/51/51/261185151.db2.gz	FYIKGMXTCJJUIC-YVEFUNNKSA-N	1	1	290.357	4.552	20	70		CJIDMO
CCC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1F	ZINC000159371385	261185284	/nfs/dbraw/zinc/18/52/84/261185284.db2.gz	FYIKGMXTCJJUIC-PXAZEXFGSA-N	1	1	290.357	4.552	20	70		CJIDMO
CCC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1F	ZINC000159371528	261184943	/nfs/dbraw/zinc/18/49/43/261184943.db2.gz	FYIKGMXTCJJUIC-SJKOYZFVSA-N	1	1	290.357	4.552	20	70		CJIDMO
CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1	ZINC000159424296	330847548	/nfs/dbraw/zinc/84/75/48/330847548.db2.gz	DKBDFGYHOTXCJM-NEPJUHHUSA-N	1	1	292.473	4.667	20	70		CJIDMO
CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)cc1	ZINC000159424429	330847550	/nfs/dbraw/zinc/84/75/50/330847550.db2.gz	DKBDFGYHOTXCJM-RYUDHWBXSA-N	1	1	292.473	4.667	20	70		CJIDMO
C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1F	ZINC000159434637	330847869	/nfs/dbraw/zinc/84/78/69/330847869.db2.gz	HCJSBORPOSAOQC-QWRGUYRKSA-N	1	1	279.305	4.516	20	70		CJIDMO
C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1F	ZINC000159434767	330847921	/nfs/dbraw/zinc/84/79/21/330847921.db2.gz	HCJSBORPOSAOQC-MNOVXSKESA-N	1	1	279.305	4.516	20	70		CJIDMO
C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(F)cc1F	ZINC000159481799	330848301	/nfs/dbraw/zinc/84/83/01/330848301.db2.gz	LRZLLHUVFSMJID-UWVGGRQHSA-N	1	1	297.295	4.655	20	70		CJIDMO
C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1F	ZINC000159517894	330848718	/nfs/dbraw/zinc/84/87/18/330848718.db2.gz	ZUVQDQKHYDQDIH-UWVGGRQHSA-N	1	1	297.295	4.655	20	70		CJIDMO
C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccc(F)c1F	ZINC000159518039	262359258	/nfs/dbraw/zinc/35/92/58/262359258.db2.gz	ZUVQDQKHYDQDIH-ZJUUUORDSA-N	1	1	297.295	4.655	20	70		CJIDMO
C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cccc(F)c1F	ZINC000159518326	330848620	/nfs/dbraw/zinc/84/86/20/330848620.db2.gz	ZUVQDQKHYDQDIH-NXEZZACHSA-N	1	1	297.295	4.655	20	70		CJIDMO
Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2F)c(C)o1	ZINC000160803331	330876304	/nfs/dbraw/zinc/87/63/04/330876304.db2.gz	QROLLCMADHECLC-SNVBAGLBSA-N	1	1	281.758	4.540	20	70		CJIDMO
Cc1ccc2c(c1)[C@H](Nc1cccc3cc[nH+]cc31)CC2	ZINC000160835782	328087946	/nfs/dbraw/zinc/08/79/46/328087946.db2.gz	CRSGGGYPFZSRCB-LJQANCHMSA-N	1	1	274.367	4.643	20	70		CJIDMO
Cc1ccc2c(c1)[C@@H](Nc1cccc3cc[nH+]cc31)CC2	ZINC000160835905	328087990	/nfs/dbraw/zinc/08/79/90/328087990.db2.gz	CRSGGGYPFZSRCB-IBGZPJMESA-N	1	1	274.367	4.643	20	70		CJIDMO
Fc1cc(Cl)ccc1CNc1cccc2cc[nH+]cc21	ZINC000160862765	328090507	/nfs/dbraw/zinc/09/05/07/328090507.db2.gz	KQRFJFHOIGULTQ-UHFFFAOYSA-N	1	1	286.737	4.639	20	70		CJIDMO
C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1c(F)cccc1F	ZINC000160896592	330878991	/nfs/dbraw/zinc/87/89/91/330878991.db2.gz	BSDXVLJLNLETGY-SECBINFHSA-N	1	1	299.723	4.608	20	70		CJIDMO
Fc1cc(Cl)cc(CNc2cccc3cc[nH+]cc32)c1	ZINC000160964004	328100771	/nfs/dbraw/zinc/10/07/71/328100771.db2.gz	HGAYFRWKBGARMU-UHFFFAOYSA-N	1	1	286.737	4.639	20	70		CJIDMO