smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCCN([C@@H]2CCOC2=O)CC1	217945322	583490760	/nfs/dbraw/zinc/49/07/60/583490760.db2.gz	MBLIVBVGBJDXDC-SECBINFHSA-N	1	1	198.266	-0.061	20	70		ABIDMO
CCN(CCNC(N)=[NH2+])C1CC1	218001240	583491771	/nfs/dbraw/zinc/49/17/71/583491771.db2.gz	MLQFKCOZUOSLOQ-UHFFFAOYSA-N	1	1	170.260	-0.046	20	70		ABIDMO
COC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1	159394125	344143431	/nfs/dbraw/zinc/14/34/31/344143431.db2.gz	RIRLTBQIHDJQJH-YUMQZZPRSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1	159393990	344143288	/nfs/dbraw/zinc/14/32/88/344143288.db2.gz	RIRLTBQIHDJQJH-HTQZYQBOSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1	159393990	344143291	/nfs/dbraw/zinc/14/32/91/344143291.db2.gz	RIRLTBQIHDJQJH-HTQZYQBOSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1	159393848	344143368	/nfs/dbraw/zinc/14/33/68/344143368.db2.gz	RIRLTBQIHDJQJH-JGVFFNPUSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1	159393848	344143370	/nfs/dbraw/zinc/14/33/70/344143370.db2.gz	RIRLTBQIHDJQJH-JGVFFNPUSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1	159394125	344143434	/nfs/dbraw/zinc/14/34/34/344143434.db2.gz	RIRLTBQIHDJQJH-YUMQZZPRSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1	159394260	344143501	/nfs/dbraw/zinc/14/35/01/344143501.db2.gz	RIRLTBQIHDJQJH-SFYZADRCSA-N	1	1	187.239	-0.138	20	70		ABIDMO
COC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1	159394260	344143503	/nfs/dbraw/zinc/14/35/03/344143503.db2.gz	RIRLTBQIHDJQJH-SFYZADRCSA-N	1	1	187.239	-0.138	20	70		ABIDMO
NC1=NC(=O)[C@]2(C[NH+]3CCC2CC3)O1	160717788	344175331	/nfs/dbraw/zinc/17/53/31/344175331.db2.gz	YQCRJOCISRXINE-SECBINFHSA-N	1	1	195.222	-0.678	20	70		ABIDMO
NC1=NC(=O)[C@@]2(C[NH+]3CCC2CC3)O1	160717666	344175410	/nfs/dbraw/zinc/17/54/10/344175410.db2.gz	YQCRJOCISRXINE-VIFPVBQESA-N	1	1	195.222	-0.678	20	70		ABIDMO
CC(C)[N@@H+](C)CCNS(N)(=O)=O	161024079	344183500	/nfs/dbraw/zinc/18/35/00/344183500.db2.gz	SWHYTSJTIVRQCK-UHFFFAOYSA-N	1	1	195.288	-0.880	20	70		ABIDMO
C[N@@H+](CCO)CCn1cncn1	217368198	344401410	/nfs/dbraw/zinc/40/14/10/344401410.db2.gz	SVIDPNDFBHAXCV-UHFFFAOYSA-N	1	1	170.216	-0.798	20	70		ABIDMO
COC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+]	218647680	344414339	/nfs/dbraw/zinc/41/43/39/344414339.db2.gz	XNXAPYXBXMADAS-SFYZADRCSA-N	1	1	176.260	-0.727	20	70		ABIDMO
COC[C@@H](C)N(C)C[C@@H](O)C[NH3+]	218647680	344414340	/nfs/dbraw/zinc/41/43/40/344414340.db2.gz	XNXAPYXBXMADAS-SFYZADRCSA-N	1	1	176.260	-0.727	20	70		ABIDMO
COC[C@H](C)N(C)C[C@@H](O)C[NH3+]	218647764	344414736	/nfs/dbraw/zinc/41/47/36/344414736.db2.gz	XNXAPYXBXMADAS-YUMQZZPRSA-N	1	1	176.260	-0.727	20	70		ABIDMO
C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(N)=O	159366552	538033192	/nfs/dbraw/zinc/03/31/92/538033192.db2.gz	IPWWBSSKKSOOSL-SFYZADRCSA-N	1	1	186.255	-0.293	20	70		ABIDMO
C[C@@H](O)C[C@H]1CCC[N@H+]1CC(N)=O	159366850	538033284	/nfs/dbraw/zinc/03/32/84/538033284.db2.gz	IPWWBSSKKSOOSL-HTQZYQBOSA-N	1	1	186.255	-0.293	20	70		ABIDMO
C[C@H](O)C[C@H]1CCC[N@H+]1CC(N)=O	159366715	538034261	/nfs/dbraw/zinc/03/42/61/538034261.db2.gz	IPWWBSSKKSOOSL-JGVFFNPUSA-N	1	1	186.255	-0.293	20	70		ABIDMO
C[C@H](O)C[C@@H]1CCC[N@H+]1CC(N)=O	159366411	538035887	/nfs/dbraw/zinc/03/58/87/538035887.db2.gz	IPWWBSSKKSOOSL-YUMQZZPRSA-N	1	1	186.255	-0.293	20	70		ABIDMO
CC[C@@H](C(N)=O)[N@@H+](CC)CCCO	160725212	538049106	/nfs/dbraw/zinc/04/91/06/538049106.db2.gz	CAKFRMJUQZTNIK-QMMMGPOBSA-N	1	1	188.271	-0.045	20	70		ABIDMO
CC[C@H](C(N)=O)[N@@H+](CC)CCCO	160725340	538050237	/nfs/dbraw/zinc/05/02/37/538050237.db2.gz	CAKFRMJUQZTNIK-MRVPVSSYSA-N	1	1	188.271	-0.045	20	70		ABIDMO
CN(C)CC(=O)NCC1=CC[NH2+]CC1	160510310	486974309	/nfs/dbraw/zinc/97/43/09/486974309.db2.gz	RABFTAJPUBDNRX-UHFFFAOYSA-N	1	1	197.282	-0.416	20	70		ABIDMO
C[C@H](CO)C[N@H+](C)C[C@@H](C)O	160958436	486978368	/nfs/dbraw/zinc/97/83/68/486978368.db2.gz	HLTYVXKCFDOPNB-JGVFFNPUSA-N	1	1	161.245	-0.073	20	70		ABIDMO
C[C@@H](O)C[N@@H+](C)C[C@@H](C)CO	160958550	486978449	/nfs/dbraw/zinc/97/84/49/486978449.db2.gz	HLTYVXKCFDOPNB-HTQZYQBOSA-N	1	1	161.245	-0.073	20	70		ABIDMO
C[C@H](CO)[N@@H+](C)C[C@@H]1CCC(=O)N1	218150078	487029049	/nfs/dbraw/zinc/02/90/49/487029049.db2.gz	BRNFTGDYCBRIBY-SFYZADRCSA-N	1	1	186.255	-0.422	20	70		ABIDMO