smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@](C)(CCO)NCCC[NH+]1CCCCC1	ZINC000161407894	522880502	/nfs/dbraw/zinc/88/05/02/522880502.db2.gz	WGDVPLOJRJGFDS-AWEZNQCLSA-N	1	3	258.406	1.240	10	70		CDIEHO
C[C@H](O)C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000161355491	525700477	/nfs/dbraw/zinc/70/04/77/525700477.db2.gz	GGNKMNOZBWVJSO-AWEZNQCLSA-N	1	3	254.418	1.955	10	70		CDIEHO
CCC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)N(C)C	ZINC000159978946	361985613	/nfs/dbraw/zinc/98/56/13/361985613.db2.gz	FMFIDNHPGOGTTN-CHWSQXEVSA-N	1	3	257.422	1.563	10	70		CDIEHO
CCC(CC)(C[NH3+])C(=O)NCCN1CCCC[C@H]1C	ZINC000161269811	391579992	/nfs/dbraw/zinc/57/99/92/391579992.db2.gz	KQLVYUAAYILVLR-CYBMUJFWSA-N	1	3	269.433	1.742	10	70		CDIEHO
CCC[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)N(C)C	ZINC000161367040	377601587	/nfs/dbraw/zinc/60/15/87/377601587.db2.gz	OXDRNJZBZZTAOB-CQSZACIVSA-N	1	3	267.417	1.460	10	70		CDIEHO
CCC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)N(C)C	ZINC000161075791	292799917	/nfs/dbraw/zinc/79/99/17/292799917.db2.gz	OTTLOIOZOHTICG-CQSZACIVSA-N	1	3	269.433	1.706	10	70		CDIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C)CC1	ZINC000159569851	362446286	/nfs/dbraw/zinc/44/62/86/362446286.db2.gz	JVKLNXXYFRZKOD-OAHLLOKOSA-N	1	3	296.459	1.500	10	70		CDIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C)CC1	ZINC000159569851	362446289	/nfs/dbraw/zinc/44/62/89/362446289.db2.gz	JVKLNXXYFRZKOD-OAHLLOKOSA-N	1	3	296.459	1.500	10	70		CDIEHO
CCC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)N(C)C	ZINC000159979071	361985769	/nfs/dbraw/zinc/98/57/69/361985769.db2.gz	FMFIDNHPGOGTTN-STQMWFEESA-N	1	3	257.422	1.563	10	70		CDIEHO
OC1C[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCCC1	ZINC000161067550	527518430	/nfs/dbraw/zinc/51/84/30/527518430.db2.gz	IPNSGJRQSYLSFM-YIONKMFJSA-N	1	3	252.402	1.850	10	70		CDIEHO
CCN1CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1	ZINC000159621481	361757032	/nfs/dbraw/zinc/75/70/32/361757032.db2.gz	LPMGJFZISYMNNH-CQSZACIVSA-N	1	3	284.448	1.454	10	70		CDIEHO
COC[C@@](C)(CCO)NCCC[NH+]1CCCCC1	ZINC000161407771	522522761	/nfs/dbraw/zinc/52/27/61/522522761.db2.gz	WGDVPLOJRJGFDS-CQSZACIVSA-N	1	3	258.406	1.240	10	70		CDIEHO
CC[C@H](O)CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380156	288111349	/nfs/dbraw/zinc/11/13/49/288111349.db2.gz	UHNCKEVOLVAIMS-INIZCTEOSA-N	1	3	283.460	1.251	10	70		CDIEHO
CC(C)N(C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161365824	362799121	/nfs/dbraw/zinc/79/91/21/362799121.db2.gz	RXBJLTQFCDGAOV-FUNVUKJBSA-N	1	3	253.390	1.068	10	70		CDIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1C	ZINC000159716536	363221521	/nfs/dbraw/zinc/22/15/21/363221521.db2.gz	MCLPPCCTUSNRLO-LSDHHAIUSA-N	1	3	296.459	1.500	10	70		CDIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1C	ZINC000159716536	363221524	/nfs/dbraw/zinc/22/15/24/363221524.db2.gz	MCLPPCCTUSNRLO-LSDHHAIUSA-N	1	3	296.459	1.500	10	70		CDIEHO
CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000161120060	519691562	/nfs/dbraw/zinc/69/15/62/519691562.db2.gz	MZRIQMJBPBDLCB-ZBFHGGJFSA-N	1	3	295.471	1.952	10	70		CDIEHO
C[C@@H](O)CN1CCN(CCC[NH+]2CCCCC2)C[C@H]1C	ZINC000161342021	287094878	/nfs/dbraw/zinc/09/48/78/287094878.db2.gz	QNHAATQFHGABLE-HZPDHXFCSA-N	1	3	283.460	1.249	10	70		CDIEHO
CCC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)N(C)C	ZINC000159978821	361985691	/nfs/dbraw/zinc/98/56/91/361985691.db2.gz	FMFIDNHPGOGTTN-OLZOCXBDSA-N	1	3	257.422	1.563	10	70		CDIEHO
C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468761	524946529	/nfs/dbraw/zinc/94/65/29/524946529.db2.gz	FKAADFCECAUUST-SJORKVTESA-N	1	3	295.471	1.515	10	70		CDIEHO
C[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468761	524946542	/nfs/dbraw/zinc/94/65/42/524946542.db2.gz	FKAADFCECAUUST-SJORKVTESA-N	1	3	295.471	1.515	10	70		CDIEHO
C[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468761	524946549	/nfs/dbraw/zinc/94/65/49/524946549.db2.gz	FKAADFCECAUUST-SJORKVTESA-N	1	3	295.471	1.515	10	70		CDIEHO
CCC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)N(C)C	ZINC000161075652	362565211	/nfs/dbraw/zinc/56/52/11/362565211.db2.gz	OTTLOIOZOHTICG-AWEZNQCLSA-N	1	3	269.433	1.706	10	70		CDIEHO
CC[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1CCOC	ZINC000161343112	358798769	/nfs/dbraw/zinc/79/87/69/358798769.db2.gz	UDRQWZWYQUKAFH-QGZVFWFLSA-N	1	3	297.487	1.905	10	70		CDIEHO
CC[C@@H](O)CN1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380253	280207277	/nfs/dbraw/zinc/20/72/77/280207277.db2.gz	UHNCKEVOLVAIMS-MRXNPFEDSA-N	1	3	283.460	1.251	10	70		CDIEHO
NC(=O)C[C@@H]1CCCCN1CCC[NH+]1CCCCC1	ZINC000160905352	362540159	/nfs/dbraw/zinc/54/01/59/362540159.db2.gz	BVKRQVCBSKXHLL-AWEZNQCLSA-N	1	3	267.417	1.592	10	70		CDIEHO
NC(=O)C[C@H]1CCCCN1CCC[NH+]1CCCCC1	ZINC000160905175	362539796	/nfs/dbraw/zinc/53/97/96/362539796.db2.gz	BVKRQVCBSKXHLL-CQSZACIVSA-N	1	3	267.417	1.592	10	70		CDIEHO
C[C@@H](O)C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000161355597	525746585	/nfs/dbraw/zinc/74/65/85/525746585.db2.gz	GGNKMNOZBWVJSO-CQSZACIVSA-N	1	3	254.418	1.955	10	70		CDIEHO
CCC(CC)(C[NH3+])C(=O)NCCN1CCCC[C@@H]1C	ZINC000161269678	391580536	/nfs/dbraw/zinc/58/05/36/391580536.db2.gz	KQLVYUAAYILVLR-ZDUSSCGKSA-N	1	3	269.433	1.742	10	70		CDIEHO
CC[C@H]1CN(CCC[NH+]2CCCCC2)CCN1C[C@@H](C)O	ZINC000161342417	281166941	/nfs/dbraw/zinc/16/69/41/281166941.db2.gz	JKPFHZXQOSNHIA-SJORKVTESA-N	1	3	297.487	1.639	10	70		CDIEHO
CC[C@@H](CO)N1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380501	522555137	/nfs/dbraw/zinc/55/51/37/522555137.db2.gz	XWQNVAFEHPBFDO-INIZCTEOSA-N	1	3	283.460	1.251	10	70		CDIEHO
O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000217901052	295620429	/nfs/dbraw/zinc/62/04/29/295620429.db2.gz	SJBNIHQHVQUCJL-RCBQFDQVSA-N	1	3	291.439	1.650	10	70		CDIEHO
CCC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)N(C)C	ZINC000159979192	361987182	/nfs/dbraw/zinc/98/71/82/361987182.db2.gz	FMFIDNHPGOGTTN-QWHCGFSZSA-N	1	3	257.422	1.563	10	70		CDIEHO
CC[C@H](CO)N1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161380633	522207976	/nfs/dbraw/zinc/20/79/76/522207976.db2.gz	XWQNVAFEHPBFDO-MRXNPFEDSA-N	1	3	283.460	1.251	10	70		CDIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1C	ZINC000159716715	363213204	/nfs/dbraw/zinc/21/32/04/363213204.db2.gz	MCLPPCCTUSNRLO-HUUCEWRRSA-N	1	3	296.459	1.500	10	70		CDIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1C	ZINC000159716715	363213206	/nfs/dbraw/zinc/21/32/06/363213206.db2.gz	MCLPPCCTUSNRLO-HUUCEWRRSA-N	1	3	296.459	1.500	10	70		CDIEHO
CC[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1C[C@@H](C)O	ZINC000161342296	391589508	/nfs/dbraw/zinc/58/95/08/391589508.db2.gz	JKPFHZXQOSNHIA-IAGOWNOFSA-N	1	3	297.487	1.639	10	70		CDIEHO
C[C@@H](O)CN1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000161342110	287095189	/nfs/dbraw/zinc/09/51/89/287095189.db2.gz	QNHAATQFHGABLE-JKSUJKDBSA-N	1	3	283.460	1.249	10	70		CDIEHO
CC[C@H]1CN(CCC[NH+]2CCCCC2)CCN1CCOC	ZINC000161343250	523275836	/nfs/dbraw/zinc/27/58/36/523275836.db2.gz	UDRQWZWYQUKAFH-KRWDZBQOSA-N	1	3	297.487	1.905	10	70		CDIEHO
CN(C)C(=O)C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000161217828	523971369	/nfs/dbraw/zinc/97/13/69/523971369.db2.gz	HCTGPWPNXDXDHC-UHFFFAOYSA-N	1	3	281.444	1.663	10	70		CDIEHO
O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1	ZINC000217901128	367259858	/nfs/dbraw/zinc/25/98/58/367259858.db2.gz	SJBNIHQHVQUCJL-KCXAZCMYSA-N	1	3	291.439	1.650	10	70		CDIEHO
CCC[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)N(C)C	ZINC000161366908	377601865	/nfs/dbraw/zinc/60/18/65/377601865.db2.gz	OXDRNJZBZZTAOB-AWEZNQCLSA-N	1	3	267.417	1.460	10	70		CDIEHO
[NH3+]CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000160144055	377051333	/nfs/dbraw/zinc/05/13/33/377051333.db2.gz	BCBFNZMXIXHDLQ-AWEZNQCLSA-N	1	3	293.386	1.503	10	70		CDIEHO
C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468883	524588601	/nfs/dbraw/zinc/58/86/01/524588601.db2.gz	FKAADFCECAUUST-IRXDYDNUSA-N	1	3	295.471	1.515	10	70		CDIEHO
C[C@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468883	524588611	/nfs/dbraw/zinc/58/86/11/524588611.db2.gz	FKAADFCECAUUST-IRXDYDNUSA-N	1	3	295.471	1.515	10	70		CDIEHO
C[C@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468883	524588615	/nfs/dbraw/zinc/58/86/15/524588615.db2.gz	FKAADFCECAUUST-IRXDYDNUSA-N	1	3	295.471	1.515	10	70		CDIEHO
CC(C)N1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1	ZINC000161120164	519695798	/nfs/dbraw/zinc/69/57/98/519695798.db2.gz	MZRIQMJBPBDLCB-HOCLYGCPSA-N	1	3	295.471	1.952	10	70		CDIEHO
[NH3+]CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000160144204	377050465	/nfs/dbraw/zinc/05/04/65/377050465.db2.gz	BCBFNZMXIXHDLQ-CQSZACIVSA-N	1	3	293.386	1.503	10	70		CDIEHO