smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971258	1131988628	/nfs/dbraw/zinc/98/86/28/1131988628.db2.gz	MQYZQCCTUDMUEK-SNVBAGLBSA-N	-2	2	281.308	3.520	20	5		CHBDLL
CC(C)CC(CC(C)C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228969889	1131987540	/nfs/dbraw/zinc/98/75/40/1131987540.db2.gz	DPWXQTLMFFYKFN-UHFFFAOYSA-N	-2	2	297.351	3.846	20	5		CHBDLL
CC(C)=CCC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971254	1131987597	/nfs/dbraw/zinc/98/75/97/1131987597.db2.gz	MQYZQCCTUDMUEK-JTQLQIEISA-N	-2	2	281.308	3.520	20	5		CHBDLL
CCC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])[C@H](C)CC	ZINC001228971538	1131987831	/nfs/dbraw/zinc/98/78/31/1131987831.db2.gz	QCUBYBBRAMQUOX-SKDRFNHKSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)(C)C	ZINC001228971634	1131988314	/nfs/dbraw/zinc/98/83/14/1131988314.db2.gz	RHLPUVHGOIMXGX-LBPRGKRZSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])[C@H](C)CC	ZINC001228971532	1131987768	/nfs/dbraw/zinc/98/77/68/1131987768.db2.gz	QCUBYBBRAMQUOX-BXKDBHETSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CC(C)C1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228970144	1131988374	/nfs/dbraw/zinc/98/83/74/1131988374.db2.gz	GIAXGOPZVRRFMF-UHFFFAOYSA-N	-2	2	295.335	3.600	20	5		CHBDLL
CC[C@H](C)C[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971496	1131988149	/nfs/dbraw/zinc/98/81/49/1131988149.db2.gz	PCIGRLSMVLTNOH-ONGXEEELSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCCCC[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971915	1131988799	/nfs/dbraw/zinc/98/87/99/1131988799.db2.gz	SQGZZLBQYVGVDL-LLVKDONJSA-N	-2	2	283.324	3.744	20	5		CHBDLL
CC[C@@H](C)C[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971494	1131987655	/nfs/dbraw/zinc/98/76/55/1131987655.db2.gz	PCIGRLSMVLTNOH-KOLCDFICSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1	ZINC001228971292	1131988345	/nfs/dbraw/zinc/98/83/45/1131988345.db2.gz	MZSHERJZKOROFY-CYBMUJFWSA-N	-2	2	289.287	3.536	20	5		CHBDLL
CCC(CC)[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971606	1131988234	/nfs/dbraw/zinc/98/82/34/1131988234.db2.gz	QWMRUMXGGKZQBA-GFCCVEGCSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CC(C)CCC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970115	1131988648	/nfs/dbraw/zinc/98/86/48/1131988648.db2.gz	GCZXRQZNGUMQJC-JTQLQIEISA-N	-2	2	283.324	3.600	20	5		CHBDLL
CC[C@H](C[C@@H](C)CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971493	1131988395	/nfs/dbraw/zinc/98/83/95/1131988395.db2.gz	PCIGRLSMVLTNOH-GXSJLCMTSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCCCC[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971917	1131988424	/nfs/dbraw/zinc/98/84/24/1131988424.db2.gz	SQGZZLBQYVGVDL-NSHDSACASA-N	-2	2	283.324	3.744	20	5		CHBDLL
CC(C)CCC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228970116	1131988005	/nfs/dbraw/zinc/98/80/05/1131988005.db2.gz	GCZXRQZNGUMQJC-SNVBAGLBSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CC[C@@H](C)C[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-]	ZINC001228971495	1131988049	/nfs/dbraw/zinc/98/80/49/1131988049.db2.gz	PCIGRLSMVLTNOH-MWLCHTKSSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCCC1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1	ZINC001228971269	1131988483	/nfs/dbraw/zinc/98/84/83/1131988483.db2.gz	MRSFHMDECSAXJS-UHFFFAOYSA-N	-2	2	295.335	3.744	20	5		CHBDLL
CCC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])[C@@H](C)CC	ZINC001228971534	1131988608	/nfs/dbraw/zinc/98/86/08/1131988608.db2.gz	QCUBYBBRAMQUOX-CABZTGNLSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)(C)C	ZINC001228971633	1131988668	/nfs/dbraw/zinc/98/86/68/1131988668.db2.gz	RHLPUVHGOIMXGX-GFCCVEGCSA-N	-2	2	283.324	3.600	20	5		CHBDLL
CCC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])[C@@H](C)CC	ZINC001228971536	1131987973	/nfs/dbraw/zinc/98/79/73/1131987973.db2.gz	QCUBYBBRAMQUOX-JOYOIKCWSA-N	-2	2	283.324	3.600	20	5		CHBDLL