smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@@H]2C[C@H]1C(C[N@@+]1(C)CCc3ccccc3C1)=CC2	ZINC000254133603	717170271	/nfs/dbraw/zinc/17/02/71/717170271.db2.gz	VLQQXMWXZGCTSR-ZJOUEHCJSA-N	1	0	282.451	4.182	1	5		CIBFRO
COc1ccccc1C[N+](C)(C)CSc1ccccc1	ZINC000040723920	174385833	/nfs/dbraw/zinc/38/58/33/174385833.db2.gz	PKRAKTINBZDDIO-UHFFFAOYSA-N	1	0	288.436	4.021	1	5		CIBFRO
CC[C@H]1C[N+]23CCc4c5ccccc5[nH]c4[C@H]2C[C@H]1CC3	ZINC000001633434	717088204	/nfs/dbraw/zinc/08/82/04/717088204.db2.gz	UCISNOWNAWIOQU-WVBTXNAVSA-N	1	0	281.423	4.032	1	5		CIBFRO
CCC[n+]1c2c(cc3ccccc31)[nH]c1ccccc12	ZINC000006381445	170196800	/nfs/dbraw/zinc/19/68/00/170196800.db2.gz	STNRCKNDRWBYOF-UHFFFAOYSA-O	1	0	261.348	4.172	1	5		CIBFRO
C[C@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C	ZINC000008584961	170342247	/nfs/dbraw/zinc/34/22/47/170342247.db2.gz	FFFWNLITWYXBHY-QXPKXGMISA-N	1	0	296.434	4.331	1	5		CIBFRO
c1ccc2c(c1)[nH]c1c2CC[N+]23C[C@@H]4CCC[C@H](C2)[C@@H]4C[C@H]13	ZINC000238780098	717163421	/nfs/dbraw/zinc/16/34/21/717163421.db2.gz	DEUGJZADUVJSOV-RCIBRHLWSA-N	1	0	293.434	4.032	1	5		CIBFRO
CC[C@@H]1C[N+]23CCc4c5ccccc5[nH]c4[C@H]2C[C@H]1CC3	ZINC000017218909	717112784	/nfs/dbraw/zinc/11/27/84/717112784.db2.gz	UCISNOWNAWIOQU-OQACJVAXSA-N	1	0	281.423	4.032	1	5		CIBFRO
CCCn1c2ccccc2c2c1cc1ccccc1[n+]2C	ZINC000039033870	174161714	/nfs/dbraw/zinc/16/17/14/174161714.db2.gz	IRDTYGNNVLVUQR-UHFFFAOYSA-N	1	0	275.375	4.182	1	5		CIBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccccc1)=CC2	ZINC000095564950	185010378	/nfs/dbraw/zinc/01/03/78/185010378.db2.gz	MTUDZZSFTOKNNB-ROUUACIJSA-N	1	0	270.440	4.255	1	5		CIBFRO
C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C	ZINC000007997461	170313208	/nfs/dbraw/zinc/31/32/08/170313208.db2.gz	FFFWNLITWYXBHY-MQNTZWLQSA-N	1	0	296.434	4.331	1	5		CIBFRO
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N+](C)(C)C	ZINC000026948956	717114053	/nfs/dbraw/zinc/11/40/53/717114053.db2.gz	BYRDVUOMLBWELU-SDMIETSPSA-N	1	0	292.446	4.236	1	5		CIBFRO
CC[C@@H]1C[N@+]23CCc4c5ccccc5[nH]c4[C@H]2C[C@H]1CC3	ZINC000299816200	717180839	/nfs/dbraw/zinc/18/08/39/717180839.db2.gz	UCISNOWNAWIOQU-PHAJSTNCSA-N	1	0	281.423	4.032	1	5		CIBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N@+]1(C)CCc3ccccc3C1)=CC2	ZINC000254133598	717170221	/nfs/dbraw/zinc/17/02/21/717170221.db2.gz	VLQQXMWXZGCTSR-IRFCIJBXSA-N	1	0	282.451	4.182	1	5		CIBFRO
CC[C@@H]1C[N@+]23CCc4c5ccccc5[nH]c4[C@@H]2C[C@H]1CC3	ZINC000299816202	717181018	/nfs/dbraw/zinc/18/10/18/717181018.db2.gz	UCISNOWNAWIOQU-ZXALIEMXSA-N	1	0	281.423	4.032	1	5		CIBFRO
C[n+]1c2c(cc3ccccc31)sc1ccccc12	ZINC000028641921	171568733	/nfs/dbraw/zinc/56/87/33/171568733.db2.gz	VSXAZWBLOADJKC-UHFFFAOYSA-N	1	0	250.346	4.032	1	5		CIBFRO
C[N+]1(C)CC=C(/C=C/c2cccc3ccccc23)CC1	ZINC000027885075	717115225	/nfs/dbraw/zinc/11/52/25/717115225.db2.gz	WWXSPEGQEGQEDE-ZHACJKMWSA-N	1	0	264.392	4.260	1	5		CIBFRO
Cc1c2[nH]c3cc(F)ccc3c2c(C)c2c[n+](C)ccc12	ZINC000072104756	176315756	/nfs/dbraw/zinc/31/57/56/176315756.db2.gz	RRCYBUUOGCVENA-UHFFFAOYSA-O	1	0	279.338	4.055	1	5		CIBFRO
CC(C)=CCn1cc(CC[N+]2(C)CCCC2)c2ccccc21	ZINC000084670469	717135830	/nfs/dbraw/zinc/13/58/30/717135830.db2.gz	MUVOEUDHBGCGDF-UHFFFAOYSA-N	1	0	297.466	4.390	1	5		CIBFRO
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C[N+](C)(C)C	ZINC000026948945	717114012	/nfs/dbraw/zinc/11/40/12/717114012.db2.gz	BYRDVUOMLBWELU-VMVSDCNISA-N	1	0	292.446	4.236	1	5		CIBFRO
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N+](C)(C)C	ZINC000026948965	717114269	/nfs/dbraw/zinc/11/42/69/717114269.db2.gz	BYRDVUOMLBWELU-NMDQSBKUSA-N	1	0	292.446	4.236	1	5		CIBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+]1(C)CCc3ccccc3C1)=CC2	ZINC000095559020	185009215	/nfs/dbraw/zinc/00/92/15/185009215.db2.gz	VLQQXMWXZGCTSR-CHEUHSMRSA-N	1	0	282.451	4.182	1	5		CIBFRO
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C[N+](C)(C)C	ZINC000026948974	171503688	/nfs/dbraw/zinc/50/36/88/171503688.db2.gz	BYRDVUOMLBWELU-JAQFIQKLSA-N	1	0	292.446	4.236	1	5		CIBFRO
COc1ccc(-c2ccc(CCC[N+](C)(C)C)cc2)cc1	ZINC000027300652	717114520	/nfs/dbraw/zinc/11/45/20/717114520.db2.gz	MKYQQNUSVNBIRU-UHFFFAOYSA-N	1	0	284.423	4.001	1	5		CIBFRO
CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(F)cc1)=CC2	ZINC000095560296	185009566	/nfs/dbraw/zinc/00/95/66/185009566.db2.gz	PPBKBUOVDDACKT-WMZOPIPTSA-N	1	0	288.430	4.395	1	5		CIBFRO
Cc1c2oc3ccccc3c2c(C)c2c[n+](C)ccc12	ZINC000005808202	170142004	/nfs/dbraw/zinc/14/20/04/170142004.db2.gz	NOCQDMRMSLPFKS-UHFFFAOYSA-N	1	0	262.332	4.181	1	5		CIBFRO
COc1ccc2cc3sc4ccccc4c3[n+](C)c2c1	ZINC000066157310	525646493	/nfs/dbraw/zinc/64/64/93/525646493.db2.gz	RINLJABSGURAKJ-UHFFFAOYSA-N	1	0	280.372	4.041	1	5		CIBFRO