smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CC)CCCOCCC[N+](C)(CC)CC	ZINC000001998186	169766060	/nfs/dbraw/zinc/76/60/60/169766060.db2.gz	LEFYZXRTWISQKP-UHFFFAOYSA-N	2	0	274.493	2.756	40	5		CFBBRP
C[N+]1(CC[N+]2(C)CCCCC2)C[C@@H]2CCCC[C@H]2C1	ZINC000001688959	371698449	/nfs/dbraw/zinc/69/84/49/371698449.db2.gz	HGNQZUJCMJGLMG-IRXDYDNUSA-N	2	0	266.473	2.884	40	5		CFBBRP
CC[N+](C)(C)CCN(CC[N+](C)(C)CC)c1ccccc1	ZINC000005333376	170086750	/nfs/dbraw/zinc/08/67/50/170086750.db2.gz	XGBRKYQGOCEEGO-UHFFFAOYSA-N	2	0	293.499	2.686	40	5		CFBBRP
C[N+]1(CCC[N+]2(C)CCC3(CCCC3)CC2)CCOCC1	ZINC000001621351	291447310	/nfs/dbraw/zinc/44/73/10/291447310.db2.gz	DWSBRIQAILTNSS-UHFFFAOYSA-N	2	0	296.499	2.654	40	5		CFBBRP
C[N+]1(CC[N+]2(C)CCCCC2)C[C@H]2CCCC[C@@H]2C1	ZINC000001688958	371698784	/nfs/dbraw/zinc/69/87/84/371698784.db2.gz	HGNQZUJCMJGLMG-IAGOWNOFSA-N	2	0	266.473	2.884	40	5		CFBBRP
CC[N+](C)(CC)CCC[N+]1(C)C[C@H]2CC=CC[C@@H]2C1	ZINC000001677256	371697432	/nfs/dbraw/zinc/69/74/32/371697432.db2.gz	UHDTVLHIYNTKKH-IAGOWNOFSA-N	2	0	266.473	2.906	40	5		CFBBRP
CC1(C)[C@H]2CC[C@]1(C)C[N@H+](CCC[N+](C)(C)C)C2	ZINC000005963963	393463143	/nfs/dbraw/zinc/46/31/43/393463143.db2.gz	SMDSGYNGAPAETF-GOEBONIOSA-N	2	0	253.454	2.841	40	5	in-vitro	CFBBRP
CC[N+](CC)(CC)CCOCC[N+](CC)(CC)CC	ZINC000005469435	170102538	/nfs/dbraw/zinc/10/25/38/170102538.db2.gz	UHWYBBGZJOSIJN-UHFFFAOYSA-N	2	0	274.493	2.756	40	5		CFBBRP
CC[N+](C)(CC)CC[N+]1(C)C[C@@H]2CC=CC[C@@H]2C1	ZINC000017302745	372130547	/nfs/dbraw/zinc/13/05/47/372130547.db2.gz	NNSABTDFFYFROW-BYICEURKSA-N	2	0	252.446	2.515	40	5		CFBBRP
CC1(C)[C@@H]2CC[C@@]1(C)C[N@H+](CCC[N+](C)(C)C)C2	ZINC000001694698	371698991	/nfs/dbraw/zinc/69/89/91/371698991.db2.gz	SMDSGYNGAPAETF-ZBFHGGJFSA-N	2	0	253.454	2.841	40	5	in-vitro	CFBBRP
C[N+](C)([NH3+])Cc1csc(-c2ccc(Cl)cc2)n1	ZINC000000159235	371545208	/nfs/dbraw/zinc/54/52/08/371545208.db2.gz	XJGDWLXXIJSSDK-UHFFFAOYSA-N	2	0	268.793	2.914	40	5	in-vitro	CFBBRP
CC[N+](C)(CC)CC[N+]1(C)C[C@@H]2CC=CC[C@H]2C1	ZINC000001677248	371696337	/nfs/dbraw/zinc/69/63/37/371696337.db2.gz	NNSABTDFFYFROW-HOTGVXAUSA-N	2	0	252.446	2.515	40	5		CFBBRP
CC[N+](C)(CC)CC[N+]1(C)C[C@H]2CC=CC[C@@H]2C1	ZINC000001677247	371696524	/nfs/dbraw/zinc/69/65/24/371696524.db2.gz	NNSABTDFFYFROW-HZPDHXFCSA-N	2	0	252.446	2.515	40	5		CFBBRP
CC1(C)[C@@H]2CC[C@@]1(C)C[N+](C)(CCC[N+](C)(C)C)C2	ZINC000004611018	371868411	/nfs/dbraw/zinc/86/84/11/371868411.db2.gz	GPUGLFZXYGTLBI-GIAWROPOSA-N	2	0	268.489	2.985	40	5	in-man	CFBBRP
CC[N+](C)(CC)CCC[N+]1(C)C[C@@H]2CC=CC[C@@H]2C1	ZINC000017302749	372131339	/nfs/dbraw/zinc/13/13/39/372131339.db2.gz	UHDTVLHIYNTKKH-JJTKIYQPSA-N	2	0	266.473	2.906	40	5		CFBBRP
CC1(C)[C@H]2CC[C@]1(C)C[N+](C)(CCC[N+](C)(C)C)C2	ZINC000000000810	393446631	/nfs/dbraw/zinc/44/66/31/393446631.db2.gz	GPUGLFZXYGTLBI-NADDXPSSSA-N	2	0	268.489	2.985	40	5	in-man	CFBBRP
CC[N+](C)(CC)CCC[N+]1(C)C[C@@H]2CC=CC[C@H]2C1	ZINC000001677257	371696861	/nfs/dbraw/zinc/69/68/61/371696861.db2.gz	UHDTVLHIYNTKKH-IRXDYDNUSA-N	2	0	266.473	2.906	40	5		CFBBRP
C[N+]1(CC[N+]2(C)CCCCC2)C[C@@H]2CCCC[C@@H]2C1	ZINC000017315721	372133101	/nfs/dbraw/zinc/13/31/01/372133101.db2.gz	HGNQZUJCMJGLMG-JJTKIYQPSA-N	2	0	266.473	2.884	40	5		CFBBRP