smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[NH+]2CCC(CN(C)Cc3ccc(C#CC(C)(C)O)s3)CC2)cc1	ZINC000011879760	568820860	/nfs/dbraw/zinc/82/08/60/568820860.db2.gz	ALOMNIUGANVNLJ-UHFFFAOYSA-N	1	3	440.653	4.266	50	30		IIEAHO
Cc1sc(-c2c(O)cn(C3CC[NH+](Cc4ccccc4)CC3)c2N)nc1-c1ccccc1	ZINC000034770126	568738027	/nfs/dbraw/zinc/73/80/27/568738027.db2.gz	FNIIHEHDGPROAM-UHFFFAOYSA-N	1	3	444.604	4.295	50	30		IIEAHO
CN(Cc1ccc(C#CC(C)(C)O)s1)CC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000012191817	523204163	/nfs/dbraw/zinc/20/41/63/523204163.db2.gz	OIJWZUNWPGZJCS-UHFFFAOYSA-N	1	3	428.617	4.396	50	30		IIEAHO
CC[C@@H](C)[N@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1cccs1	ZINC000064838204	522090358	/nfs/dbraw/zinc/09/03/58/522090358.db2.gz	FXXNOPKBXQOJIE-OAHLLOKOSA-N	1	3	426.611	4.171	50	30		IIEAHO
CC[C@@H](C)[N@@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1cccs1	ZINC000064838204	522090365	/nfs/dbraw/zinc/09/03/65/522090365.db2.gz	FXXNOPKBXQOJIE-OAHLLOKOSA-N	1	3	426.611	4.171	50	30		IIEAHO
CCN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979790	/nfs/dbraw/zinc/97/97/90/562979790.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	1	3	434.624	4.206	50	30		IIEAHO
CCN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000011874943	562979791	/nfs/dbraw/zinc/97/97/91/562979791.db2.gz	DPCGIWVVWZXGQM-MHZLTWQESA-N	1	3	434.624	4.206	50	30		IIEAHO
CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(OC(F)(F)F)cc3)CC2)CC1	ZINC000328592703	569317310	/nfs/dbraw/zinc/31/73/10/569317310.db2.gz	BMMWQILVDSZYKH-UHFFFAOYSA-N	1	3	427.511	4.281	50	30		IIEAHO
COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949673	/nfs/dbraw/zinc/94/96/73/523949673.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	1	3	434.624	4.204	50	30		IIEAHO
COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716357	523949681	/nfs/dbraw/zinc/94/96/81/523949681.db2.gz	BWEDGRFCPOVZME-AREMUKBSSA-N	1	3	434.624	4.204	50	30		IIEAHO
CC[C@H](C)[N@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1cccs1	ZINC000064838207	523936364	/nfs/dbraw/zinc/93/63/64/523936364.db2.gz	FXXNOPKBXQOJIE-HNNXBMFYSA-N	1	3	426.611	4.171	50	30		IIEAHO
CC[C@H](C)[N@@H+](CCn1cc(O)c(-c2nc3ccccc3s2)c1N)Cc1cccs1	ZINC000064838207	523936372	/nfs/dbraw/zinc/93/63/72/523936372.db2.gz	FXXNOPKBXQOJIE-HNNXBMFYSA-N	1	3	426.611	4.171	50	30		IIEAHO
CC1(C)CC(n2cc(O)c(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)CC(C)(C)[NH2+]1	ZINC000009531060	556297385	/nfs/dbraw/zinc/29/73/85/556297385.db2.gz	HTYWBXZHLIEDMY-UHFFFAOYSA-N	1	3	431.005	4.285	50	30		IIEAHO
OCCC#Cc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012319784	527529824	/nfs/dbraw/zinc/52/98/24/527529824.db2.gz	ROSRVGWMHWPHAK-UHFFFAOYSA-N	1	3	431.624	4.472	50	30		IIEAHO
COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948375	/nfs/dbraw/zinc/94/83/75/523948375.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	1	3	434.624	4.204	50	30		IIEAHO
COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)C2)cc1	ZINC000012716353	523948376	/nfs/dbraw/zinc/94/83/76/523948376.db2.gz	BWEDGRFCPOVZME-SANMLTNESA-N	1	3	434.624	4.204	50	30		IIEAHO
CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000014243636	556403800	/nfs/dbraw/zinc/40/38/00/556403800.db2.gz	HXQRGYNEDCHJPJ-PKTZIBPZSA-N	1	3	438.701	4.251	50	30		IIEAHO
CCN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979806	/nfs/dbraw/zinc/97/98/06/562979806.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	1	3	434.624	4.206	50	30		IIEAHO
CCN(Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1	ZINC000011874944	562979807	/nfs/dbraw/zinc/97/98/07/562979807.db2.gz	DPCGIWVVWZXGQM-HHHXNRCGSA-N	1	3	434.624	4.206	50	30		IIEAHO
CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000008036046	556149528	/nfs/dbraw/zinc/14/95/28/556149528.db2.gz	HXQRGYNEDCHJPJ-GOTSBHOMSA-N	1	3	438.701	4.251	50	30		IIEAHO