smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCC[NH+](CC)CC)ccc1-2	ZINC000004737224	557057853	/nfs/dbraw/zinc/05/78/53/557057853.db2.gz	ZIOVESONCNMSKQ-UHFFFAOYSA-N	2	0	425.573	4.335	50	30		IIEARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(C#CC(C)(C)O)s3)CC2)cc1	ZINC000011879760	568820857	/nfs/dbraw/zinc/82/08/57/568820857.db2.gz	ALOMNIUGANVNLJ-UHFFFAOYSA-N	2	0	440.653	4.266	50	30		IIEARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)cc1	ZINC000012592800	523949614	/nfs/dbraw/zinc/94/96/14/523949614.db2.gz	VMRDCRQYCVKZRK-UHFFFAOYSA-N	2	0	434.624	4.204	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000012864620	520493572	/nfs/dbraw/zinc/49/35/72/520493572.db2.gz	XACOJSKEQRDALU-WIAZEZMVSA-N	2	0	434.665	4.395	50	30	biogenic	IIEARP
C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000012191817	523204125	/nfs/dbraw/zinc/20/41/25/523204125.db2.gz	OIJWZUNWPGZJCS-UHFFFAOYSA-N	2	0	428.617	4.396	50	30		IIEARP
CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979784	/nfs/dbraw/zinc/97/97/84/562979784.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	2	0	434.624	4.206	50	30		IIEARP
C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1	ZINC000011661577	562978901	/nfs/dbraw/zinc/97/89/01/562978901.db2.gz	TYIZHSVSKZWFMB-VWLOTQADSA-N	2	0	425.016	4.460	50	30		IIEARP
C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1	ZINC000011661578	562978829	/nfs/dbraw/zinc/97/88/29/562978829.db2.gz	TYIZHSVSKZWFMB-RUZDIDTESA-N	2	0	425.016	4.460	50	30		IIEARP
COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949641	/nfs/dbraw/zinc/94/96/41/523949641.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	2	0	434.624	4.204	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073379	568760411	/nfs/dbraw/zinc/76/04/11/568760411.db2.gz	XACOJSKEQRDALU-WJXVZKHPSA-N	2	0	434.665	4.395	50	30	biogenic	IIEARP
CC(C)(O)C#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000015062438	568635171	/nfs/dbraw/zinc/63/51/71/568635171.db2.gz	IIUMTLISUBHWID-MHZLTWQESA-N	2	0	438.656	4.445	50	30		IIEARP
CC(C)(O)C#Cc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000015062439	568635320	/nfs/dbraw/zinc/63/53/20/568635320.db2.gz	IIUMTLISUBHWID-HHHXNRCGSA-N	2	0	438.656	4.445	50	30		IIEARP
OCCC#Cc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012319784	527529810	/nfs/dbraw/zinc/52/98/10/527529810.db2.gz	ROSRVGWMHWPHAK-UHFFFAOYSA-N	2	0	431.624	4.472	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12	ZINC000253488104	569283230	/nfs/dbraw/zinc/28/32/30/569283230.db2.gz	XACOJSKEQRDALU-XLRMEXJBSA-N	2	0	434.665	4.395	50	30		IIEARP
COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948358	/nfs/dbraw/zinc/94/83/58/523948358.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	2	0	434.624	4.204	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21	ZINC000004073380	568760376	/nfs/dbraw/zinc/76/03/76/568760376.db2.gz	XACOJSKEQRDALU-WCQONYCWSA-N	2	0	434.665	4.395	50	30	biogenic	IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000012864613	520493786	/nfs/dbraw/zinc/49/37/86/520493786.db2.gz	XACOJSKEQRDALU-MOHLLJBMSA-N	2	0	434.665	4.395	50	30	biogenic	IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]12	ZINC000253488102	569283236	/nfs/dbraw/zinc/28/32/36/569283236.db2.gz	XACOJSKEQRDALU-QBBPNXHKSA-N	2	0	434.665	4.395	50	30		IIEARP
CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000014243636	556403797	/nfs/dbraw/zinc/40/37/97/556403797.db2.gz	HXQRGYNEDCHJPJ-PKTZIBPZSA-N	2	0	438.701	4.251	50	30		IIEARP
CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979800	/nfs/dbraw/zinc/97/98/00/562979800.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	2	0	434.624	4.206	50	30		IIEARP
CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000008036046	556149526	/nfs/dbraw/zinc/14/95/26/556149526.db2.gz	HXQRGYNEDCHJPJ-GOTSBHOMSA-N	2	0	438.701	4.251	50	30		IIEARP
C=CCOc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000020109618	568855680	/nfs/dbraw/zinc/85/56/80/568855680.db2.gz	YAPWFXHALJGUEU-UHFFFAOYSA-N	2	0	448.655	4.455	50	30		IIEARP
C=CCn1c(SCC[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2ccccn2)CC1	ZINC000299781178	556695892	/nfs/dbraw/zinc/69/58/92/556695892.db2.gz	DHKKMEQWFXLQHV-UHFFFAOYSA-N	2	0	440.661	4.207	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000253488103	569283153	/nfs/dbraw/zinc/28/31/53/569283153.db2.gz	XACOJSKEQRDALU-VMQDIAFOSA-N	2	0	434.665	4.395	50	30		IIEARP
CCCC[NH+](CCCC)CCC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]12	ZINC000253488101	569283147	/nfs/dbraw/zinc/28/31/47/569283147.db2.gz	XACOJSKEQRDALU-PZRROBCLSA-N	2	0	434.665	4.395	50	30		IIEARP