smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2ccc3ccccc3c2cc1C[NH+](C)C	ZINC000001248494	178297381	/nfs/dbraw/zinc/29/73/81/178297381.db2.gz	SHHGHUVUBNVWJE-UHFFFAOYSA-N	1	0	249.357	4.363	50	5		BIBARO
CC[N+]1(CC)Cc2cc3ccc(C)cc3cc2C1	ZINC000001251111	386100955	/nfs/dbraw/zinc/10/09/55/386100955.db2.gz	LAEFHWJXQCQXIQ-UHFFFAOYSA-N	1	0	240.370	4.018	50	5		BIBARO
CCC[N+](CCC)(CCC)Cc1ccccc1	ZINC000001555263	342702911	/nfs/dbraw/zinc/70/29/11/342702911.db2.gz	BCCDCNCWUHICFM-UHFFFAOYSA-N	1	0	234.407	4.233	50	5		BIBARO
C[N+]1(C)Cc2cc3ccc4ccccc4c3cc2C1	ZINC000002294929	177487768	/nfs/dbraw/zinc/48/77/68/177487768.db2.gz	UJZKMAXAXBMHRA-UHFFFAOYSA-N	1	0	248.349	4.083	50	5		BIBARO
[NH3+]Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000002557070	383974073	/nfs/dbraw/zinc/97/40/73/383974073.db2.gz	TZNXEWGKCWPLQI-UHFFFAOYSA-N	1	0	231.298	4.043	50	5		BIBARO
CC(C)(C)[n+]1cc2ccccc2c2ccccc21	ZINC000003107452	343217311	/nfs/dbraw/zinc/21/73/11/343217311.db2.gz	DURLVYBSUJAKIQ-UHFFFAOYSA-N	1	0	236.338	4.036	50	5		BIBARO
C[NH+](C)Cc1c2ccccc2cc2ccccc21	ZINC000003167967	187245859	/nfs/dbraw/zinc/24/58/59/187245859.db2.gz	FICKEBFJBLMGHG-UHFFFAOYSA-N	1	0	235.330	4.055	50	5		BIBARO
Cc1c2ccccc2nc2ccc(Cl)cc12	ZINC000004100752	342742150	/nfs/dbraw/zinc/74/21/50/342742150.db2.gz	BWHNDUOBIWFYLY-UHFFFAOYSA-N	1	0	227.694	4.350	50	5		BIBARO
CC(C)C[C@H]1CCC[C@H](CC(C)C)[N+]1(C)C	ZINC000004195865	346593444	/nfs/dbraw/zinc/59/34/44/346593444.db2.gz	VLROLXIBDWOYFH-HUUCEWRRSA-N	1	0	226.428	4.076	50	5		BIBARO
CCCC[n+]1c2ccccc2cc2ccccc21	ZINC000007159399	361392102	/nfs/dbraw/zinc/39/21/02/361392102.db2.gz	BJIPKJPGNKDLJZ-UHFFFAOYSA-N	1	0	236.338	4.081	50	5		BIBARO
Cc1c2oc3cc(O)ccc3c2nc2ccccc12	ZINC000007778771	364264834	/nfs/dbraw/zinc/26/48/34/364264834.db2.gz	GGUDEBVCPAKUHC-UHFFFAOYSA-N	1	0	249.269	4.148	50	5		BIBARO
CCC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000245232384	520828563	/nfs/dbraw/zinc/82/85/63/520828563.db2.gz	UVEPGFNBMMUMQG-FHLIZLRMSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000245232385	520829048	/nfs/dbraw/zinc/82/90/48/520829048.db2.gz	UVEPGFNBMMUMQG-JLSDUUJJSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000245232386	520829423	/nfs/dbraw/zinc/82/94/23/520829423.db2.gz	UVEPGFNBMMUMQG-OLMNPRSZSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000245232387	520828676	/nfs/dbraw/zinc/82/86/76/520828676.db2.gz	UVEPGFNBMMUMQG-ZTFGCOKTSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1C[C@@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000247633361	520873017	/nfs/dbraw/zinc/87/30/17/520873017.db2.gz	CGYUYEBIDCVBHC-FHLIZLRMSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1C[C@@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000247633363	520873310	/nfs/dbraw/zinc/87/33/10/520873310.db2.gz	CGYUYEBIDCVBHC-JLSDUUJJSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000247633366	520894735	/nfs/dbraw/zinc/89/47/35/520894735.db2.gz	CGYUYEBIDCVBHC-OLMNPRSZSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000247633368	520894243	/nfs/dbraw/zinc/89/42/43/520894243.db2.gz	CGYUYEBIDCVBHC-ZTFGCOKTSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@+]2(C)C1	ZINC000252460176	521251670	/nfs/dbraw/zinc/25/16/70/521251670.db2.gz	CGYUYEBIDCVBHC-BMGDILEWSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@H]1C[C@]2(C)C3=C(CCCC3)CC[N@@+]2(C)C1	ZINC000252460177	521252341	/nfs/dbraw/zinc/25/23/41/521252341.db2.gz	CGYUYEBIDCVBHC-QGTPRVQTSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@+]2(C)C1	ZINC000252462617	521211791	/nfs/dbraw/zinc/21/17/91/521211791.db2.gz	UVEPGFNBMMUMQG-BMGDILEWSA-N	1	0	248.434	4.286	50	5		BIBARO
CCC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@@+]2(C)C1	ZINC000252462618	521212009	/nfs/dbraw/zinc/21/20/09/521212009.db2.gz	UVEPGFNBMMUMQG-QGTPRVQTSA-N	1	0	248.434	4.286	50	5		BIBARO