smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]CC	ZINC000066244144	275804345	/nfs/dbraw/zinc/80/43/45/275804345.db2.gz	SMUDSGWFKHTAGI-HOTGVXAUSA-N	2	0	332.492	2.371	40	30		EEEBRP
CCNC(NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)=[NH+]CC	ZINC000066244143	462866540	/nfs/dbraw/zinc/86/65/40/462866540.db2.gz	SMUDSGWFKHTAGI-HZPDHXFCSA-N	2	0	332.492	2.371	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC	ZINC000100930235	206267181	/nfs/dbraw/zinc/26/71/81/206267181.db2.gz	KSFVLIQDMPBFDX-TVFCKZIOSA-N	4	0	330.694	2.019	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@+](C)CC[S@+](C)CC	ZINC000100930234	219111765	/nfs/dbraw/zinc/11/17/65/219111765.db2.gz	KSFVLIQDMPBFDX-USTZCAOPSA-N	4	0	330.694	2.019	40	30		EEEBRP
COc1ccc(C[NH+]2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)cc1	ZINC000252482414	464960606	/nfs/dbraw/zinc/96/06/06/464960606.db2.gz	DETLTEHVQKJQKV-UHFFFAOYSA-N	2	0	330.476	2.316	40	30		EEEBRP
C[NH+]=C(NCCC[NH+]1CCCC1)NCc1ccn(-c2ccccc2)n1	ZINC000195545888	518570059	/nfs/dbraw/zinc/57/00/59/518570059.db2.gz	CBSLTLVAMMXVPQ-UHFFFAOYSA-N	2	0	340.475	2.023	40	30		EEEBRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1	ZINC000080373686	217300458	/nfs/dbraw/zinc/30/04/58/217300458.db2.gz	FUYSLDKXYGXITD-UHFFFAOYSA-N	2	0	348.516	2.336	40	30		EEEBRP
CCNC(NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)=[NH+]CC	ZINC000066243295	257849519	/nfs/dbraw/zinc/84/95/19/257849519.db2.gz	HKTFKFQPYXEVOP-IYBDPMFKSA-N	2	0	332.492	2.371	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@+](C)CC	ZINC000100930236	219111818	/nfs/dbraw/zinc/11/18/18/219111818.db2.gz	KSFVLIQDMPBFDX-XMTFNYHQSA-N	4	0	330.694	2.019	40	30		EEEBRP
CCNC(NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)=[NH+]CC	ZINC000066243297	462866352	/nfs/dbraw/zinc/86/63/52/462866352.db2.gz	HKTFKFQPYXEVOP-HOTGVXAUSA-N	2	0	332.492	2.371	40	30		EEEBRP
CC[NH+]=C(NCc1sccc1C)NCC1([NH+](C)C)CCOCC1	ZINC000088603698	462639444	/nfs/dbraw/zinc/63/94/44/462639444.db2.gz	LODXWKUNQSDTIX-UHFFFAOYSA-N	2	0	338.521	2.222	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC	ZINC000100930237	219112074	/nfs/dbraw/zinc/11/20/74/219112074.db2.gz	KSFVLIQDMPBFDX-BRSBDYLESA-N	4	0	330.694	2.019	40	30		EEEBRP
CCNC(NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]CC	ZINC000066244142	462866404	/nfs/dbraw/zinc/86/64/04/462866404.db2.gz	SMUDSGWFKHTAGI-IYBDPMFKSA-N	2	0	332.492	2.371	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC	ZINC000247647242	464699336	/nfs/dbraw/zinc/69/93/36/464699336.db2.gz	KSFVLIQDMPBFDX-XLAORIBOSA-N	4	0	330.694	2.019	40	30		EEEBRP
C=C(C)C[NH+]1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	ZINC000073436838	216386277	/nfs/dbraw/zinc/38/62/77/216386277.db2.gz	FKGRWZRUOTUSIE-UHFFFAOYSA-N	2	0	349.519	2.178	40	30		EEEBRP
N#Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC000096196855	463202842	/nfs/dbraw/zinc/20/28/42/463202842.db2.gz	XUQLTIIGBHWFRP-UHFFFAOYSA-N	2	0	335.455	2.409	40	30		EEEBRP
C[NH+]=C(NCCCn1cccn1)NC1CCC([NH+]2CCCCC2)CC1	ZINC000097229797	463351764	/nfs/dbraw/zinc/35/17/64/463351764.db2.gz	BGLIHFNJODBGCO-UHFFFAOYSA-N	2	0	346.523	2.235	40	30		EEEBRP
C[C@H]1C[C@H](CNC(=[NH2+])N2CCSCC2)C[N@@H+]1Cc1ccccc1	ZINC000097229334	463351630	/nfs/dbraw/zinc/35/16/30/463351630.db2.gz	UUAVSIHVTCICLE-DOTOQJQBSA-N	2	0	332.517	2.261	40	30		EEEBRP
CCN(CC)/C(CC(=O)C(C)(C)C)=[NH+]\CCCN1CC[NH+](C)CC1	ZINC000104200940	219360013	/nfs/dbraw/zinc/36/00/13/219360013.db2.gz	IDEPOYYXPUJJHZ-ZZEZOPTASA-N	2	0	338.540	2.370	40	30		EEEBRP
C[C@@H]1C[C@H](CNC(=[NH2+])N2CCSCC2)C[N@@H+]1Cc1ccccc1	ZINC000097229332	463350823	/nfs/dbraw/zinc/35/08/23/463350823.db2.gz	UUAVSIHVTCICLE-NVXWUHKLSA-N	2	0	332.517	2.261	40	30		EEEBRP
CCNC(NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)=[NH+]CC	ZINC000066243296	462866034	/nfs/dbraw/zinc/86/60/34/462866034.db2.gz	HKTFKFQPYXEVOP-HZPDHXFCSA-N	2	0	332.492	2.371	40	30		EEEBRP
C[C@@H]1C[C@@H](CNC(=[NH2+])N2CCSCC2)C[N@@H+]1Cc1ccccc1	ZINC000097229336	463350952	/nfs/dbraw/zinc/35/09/52/463350952.db2.gz	UUAVSIHVTCICLE-WBVHZDCISA-N	2	0	332.517	2.261	40	30		EEEBRP
CCN(CC)/C(CC(=O)C(C)(C)C)=[NH+]/CCCN1CC[NH+](C)CC1	ZINC000104200945	219359369	/nfs/dbraw/zinc/35/93/69/219359369.db2.gz	IDEPOYYXPUJJHZ-CZIZESTLSA-N	2	0	338.540	2.370	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC	ZINC000247647245	464699324	/nfs/dbraw/zinc/69/93/24/464699324.db2.gz	KSFVLIQDMPBFDX-XSLAGTTESA-N	4	0	330.694	2.019	40	30		EEEBRP
CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@+](C)CC	ZINC000247647239	464699458	/nfs/dbraw/zinc/69/94/58/464699458.db2.gz	KSFVLIQDMPBFDX-MHORFTMASA-N	4	0	330.694	2.019	40	30		EEEBRP
C[C@H]1C[C@@H](CNC(=[NH2+])N2CCSCC2)C[N@@H+]1Cc1ccccc1	ZINC000097229338	463351337	/nfs/dbraw/zinc/35/13/37/463351337.db2.gz	UUAVSIHVTCICLE-RDJZCZTQSA-N	2	0	332.517	2.261	40	30		EEEBRP