smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(OCCCC)cc2)cc1	ZINC000100178902	557246037	/nfs/dbraw/zinc/24/60/37/557246037.db2.gz	YVCZIWWQPNEJPY-UEUMJKGWSA-N	2	0	436.640	7.143	50	30		IKEARP
C[S+](C)[C@H]1Cc2ccc3ccc(cc3c2)C[C@H]([S+](C)C)c2ccc3ccc1cc3c2	ZINC000025694287	569587290	/nfs/dbraw/zinc/58/72/90/569587290.db2.gz	WXIQQPIGBCBEGC-NSOVKSMOSA-N	2	0	430.682	6.630	50	30		IKEARP
CC1(C)CC(/[NH+]=C2\C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1	ZINC000004763026	557094642	/nfs/dbraw/zinc/09/46/42/557094642.db2.gz	VSDVPTFEBFDIBD-DEDZXOFESA-N	2	0	432.656	6.065	50	30		IKEARP
CCCCCCCC[NH+]1CCC(CCCC2CC[NH+](CCCCCCCC)CC2)CC1	ZINC000095660873	520033600	/nfs/dbraw/zinc/03/36/00/520033600.db2.gz	LXDFDRWJIWSWQJ-UHFFFAOYSA-N	2	0	434.797	8.302	50	30		IKEARP
CCCCCCCCCCCCOCn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+]	ZINC000100719585	556656598	/nfs/dbraw/zinc/65/65/98/556656598.db2.gz	YPTGKLPWYMNVHG-UHFFFAOYSA-N	2	0	442.692	6.303	50	30		IKEARP
C[S+](C)[C@@H]1Cc2ccc3ccc(cc3c2)C[C@@H]([S+](C)C)c2ccc3ccc1cc3c2	ZINC000025694277	569587281	/nfs/dbraw/zinc/58/72/81/569587281.db2.gz	WXIQQPIGBCBEGC-VSGBNLITSA-N	2	0	430.682	6.630	50	30		IKEARP
C[N+](C)(CC#CCCCCCCC#CC[N+](C)(C)Cc1ccccc1)Cc1ccccc1	ZINC000001745948	568834185	/nfs/dbraw/zinc/83/41/85/568834185.db2.gz	WXPSRJDUDWGBKM-UHFFFAOYSA-N	2	0	430.680	5.887	50	30		IKEARP
CCCC[N+](C)(CC#Cc1ccc(C#CC[N+](C)(CCCC)CCCC)cc1)CCCC	ZINC000004808495	557134475	/nfs/dbraw/zinc/13/44/75/557134475.db2.gz	AOTJNYOWEDRDJI-UHFFFAOYSA-N	2	0	438.744	6.483	50	30		IKEARP
CC1(C)CC(/[NH+]=C2\C=CC3=N[C@@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1	ZINC000002285876	569263830	/nfs/dbraw/zinc/26/38/30/569263830.db2.gz	VSDVPTFEBFDIBD-CLSFCJNSSA-N	2	0	432.656	6.065	50	30		IKEARP
C[S+](C)[C@@H]1Cc2ccc3ccc(cc3c2)C[C@H]([S+](C)C)c2ccc3ccc1cc3c2	ZINC000025694281	569587271	/nfs/dbraw/zinc/58/72/71/569587271.db2.gz	WXIQQPIGBCBEGC-HNRBIFIRSA-N	2	0	430.682	6.630	50	30		IKEARP
Cc1cc(CSC(=[NH2+])Nc2ccccc2)c(C)cc1CSC(=[NH2+])Nc1ccccc1	ZINC000008626899	556193899	/nfs/dbraw/zinc/19/38/99/556193899.db2.gz	XHVRGMASWHIQOC-UHFFFAOYSA-N	2	0	434.634	6.063	50	30		IKEARP
CC1(C)CC(/[NH+]=C2\C=CC3=N[C@@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1	ZINC000004763019	557094620	/nfs/dbraw/zinc/09/46/20/557094620.db2.gz	VSDVPTFEBFDIBD-BGPYNXPASA-N	2	0	432.656	6.065	50	30		IKEARP
CCCCCCCCCCCC(=O)OC(C[N+]1(C)CCCCC1)C[N+]1(C)CCCCC1	ZINC000100791796	519984602	/nfs/dbraw/zinc/98/46/02/519984602.db2.gz	GYDXTBOJTRKZCG-UHFFFAOYSA-N	2	0	438.741	6.080	50	30		IKEARP
CC1(C)CC(/[NH+]=C2\C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)[NH2+]1	ZINC000004763016	557094590	/nfs/dbraw/zinc/09/45/90/557094590.db2.gz	VSDVPTFEBFDIBD-BDUZFZNUSA-N	2	0	432.656	6.065	50	30		IKEARP