smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708725	548332666	/nfs/dbraw/zinc/33/26/66/548332666.db2.gz	HVNCZQQSQPGTBH-LJQANCHMSA-N	2	0	371.529	2.195	10	30		FEEERP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514133	548326639	/nfs/dbraw/zinc/32/66/39/548326639.db2.gz	YSEBRGLRKLOWQD-KRWDZBQOSA-N	2	0	374.554	2.077	10	30		FEEERP
COc1ccc(C(=[NH2+])NCCN2CC[NH+]=C2c2ccc(OC)cc2)cc1	ZINC000038307177	523367564	/nfs/dbraw/zinc/36/75/64/523367564.db2.gz	PWMTYRRPKXWWGH-UHFFFAOYSA-N	2	0	352.438	2.172	10	30		FEEERP
C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262790094	672920959	/nfs/dbraw/zinc/92/09/59/672920959.db2.gz	NSSVQIPVRHNHPR-YJBOKZPZSA-N	2	0	364.921	2.367	10	30		FEEERP
C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127854	543204995	/nfs/dbraw/zinc/20/49/95/543204995.db2.gz	LJZXFZGZIOXUIK-XLIONFOSSA-N	2	0	359.514	2.055	10	30		FEEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOCC)[C@@H](CC)C2)CC1	ZINC000117046830	543621482	/nfs/dbraw/zinc/62/14/82/543621482.db2.gz	AWXZJPUGZDNKQO-IBGZPJMESA-N	2	0	366.550	2.169	10	30		FEEERP
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262791715	672920784	/nfs/dbraw/zinc/92/07/84/672920784.db2.gz	OGZGQZNDDFKRBH-MSOLQXFVSA-N	2	0	362.905	2.285	10	30		FEEERP
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261948905	672906142	/nfs/dbraw/zinc/90/61/42/672906142.db2.gz	GSYDGKNPZKYUOT-AVEIZBFRSA-N	2	0	350.551	2.474	10	30		FEEERP
CC(=N\OCC[N+](C)(C)C)/C(=N\OCC[N+](C)(C)C)c1ccccc1	ZINC000038322225	717126140	/nfs/dbraw/zinc/12/61/40/717126140.db2.gz	VCKCGYSIZPQTHP-MRHDUWADSA-N	2	0	350.507	2.212	10	30		FEEERP
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708701	548331930	/nfs/dbraw/zinc/33/19/30/548331930.db2.gz	HVNCZQQSQPGTBH-IBGZPJMESA-N	2	0	371.529	2.195	10	30		FEEERP
C=CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603952	549366285	/nfs/dbraw/zinc/36/62/85/549366285.db2.gz	LJZXFZGZIOXUIK-FXAWDEMLSA-N	2	0	359.514	2.055	10	30		FEEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000177173582	672380566	/nfs/dbraw/zinc/38/05/66/672380566.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	3	0	363.575	2.390	10	30		FEEERP
CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000194176762	548445572	/nfs/dbraw/zinc/44/55/72/548445572.db2.gz	MUBZETFGWFIVAY-IBGZPJMESA-N	2	0	357.502	2.116	10	30		FEEERP
C=CCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127853	543204589	/nfs/dbraw/zinc/20/45/89/543204589.db2.gz	LJZXFZGZIOXUIK-PXNSSMCTSA-N	2	0	359.514	2.055	10	30		FEEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173682032	327276156	/nfs/dbraw/zinc/27/61/56/327276156.db2.gz	JGWRMPHGMDLERZ-HNNXBMFYSA-N	2	0	369.469	2.133	10	30		FEEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000262780052	672921023	/nfs/dbraw/zinc/92/10/23/672921023.db2.gz	KMJTWZMOXHNKKC-NBOOPKSLSA-N	2	0	364.559	2.457	10	30		FEEERP
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262791719	672920808	/nfs/dbraw/zinc/92/08/08/672920808.db2.gz	OGZGQZNDDFKRBH-ROUUACIJSA-N	2	0	362.905	2.285	10	30		FEEERP
CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000194176776	548445425	/nfs/dbraw/zinc/44/54/25/548445425.db2.gz	MUBZETFGWFIVAY-LJQANCHMSA-N	2	0	357.502	2.116	10	30		FEEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173682045	327276131	/nfs/dbraw/zinc/27/61/31/327276131.db2.gz	JGWRMPHGMDLERZ-OAHLLOKOSA-N	2	0	369.469	2.133	10	30		FEEERP
C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603959	549366218	/nfs/dbraw/zinc/36/62/18/549366218.db2.gz	LJZXFZGZIOXUIK-YLJYHZDGSA-N	2	0	359.514	2.055	10	30		FEEERP
CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262782781	672920797	/nfs/dbraw/zinc/92/07/97/672920797.db2.gz	LLPITWQJHGJBOY-MSOLQXFVSA-N	2	0	362.905	2.285	10	30		FEEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000246188136	672832534	/nfs/dbraw/zinc/83/25/34/672832534.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	3	0	363.575	2.390	10	30		FEEERP
CC[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000152148746	672176004	/nfs/dbraw/zinc/17/60/04/672176004.db2.gz	MVSHOMJKLIZTCI-QFBILLFUSA-N	2	0	350.551	2.500	10	30		FEEERP
CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262782784	672920961	/nfs/dbraw/zinc/92/09/61/672920961.db2.gz	LLPITWQJHGJBOY-ROUUACIJSA-N	2	0	362.905	2.285	10	30		FEEERP
CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593369	540476051	/nfs/dbraw/zinc/47/60/51/540476051.db2.gz	FYQMCGGGZFMYHX-FQEVSTJZSA-N	2	0	369.513	2.260	10	30		FEEERP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514158	548326752	/nfs/dbraw/zinc/32/67/52/548326752.db2.gz	YSEBRGLRKLOWQD-QGZVFWFLSA-N	2	0	374.554	2.077	10	30		FEEERP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[N@@H+]1C	ZINC000262039203	672908482	/nfs/dbraw/zinc/90/84/82/672908482.db2.gz	YAOPPQXFONSAPK-GJZGRUSLSA-N	2	0	359.301	2.286	10	30		FEEERP
C[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262790091	672920773	/nfs/dbraw/zinc/92/07/73/672920773.db2.gz	NSSVQIPVRHNHPR-QAPCUYQASA-N	2	0	364.921	2.367	10	30		FEEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)CC1	ZINC000117046828	543621443	/nfs/dbraw/zinc/62/14/43/543621443.db2.gz	AWXZJPUGZDNKQO-LJQANCHMSA-N	2	0	366.550	2.169	10	30		FEEERP
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261948907	672905992	/nfs/dbraw/zinc/90/59/92/672905992.db2.gz	GSYDGKNPZKYUOT-QXDIGNSFSA-N	2	0	350.551	2.474	10	30		FEEERP
CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CCCCC2)CC1	ZINC000152148609	672176065	/nfs/dbraw/zinc/17/60/65/672176065.db2.gz	MVSHOMJKLIZTCI-LPHOPBHVSA-N	2	0	350.551	2.500	10	30		FEEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261774627	672903097	/nfs/dbraw/zinc/90/30/97/672903097.db2.gz	OMZDCDAXWZZSCH-AWEZNQCLSA-N	2	0	370.339	2.279	10	30		FEEERP
CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261774628	672903032	/nfs/dbraw/zinc/90/30/32/672903032.db2.gz	OMZDCDAXWZZSCH-CQSZACIVSA-N	2	0	370.339	2.279	10	30		FEEERP
CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593371	540476325	/nfs/dbraw/zinc/47/63/25/540476325.db2.gz	FYQMCGGGZFMYHX-HXUWFJFHSA-N	2	0	369.513	2.260	10	30		FEEERP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CCC[N@@H+]1C	ZINC000262039202	672908516	/nfs/dbraw/zinc/90/85/16/672908516.db2.gz	YAOPPQXFONSAPK-CABCVRRESA-N	2	0	359.301	2.286	10	30		FEEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000262780055	672920821	/nfs/dbraw/zinc/92/08/21/672920821.db2.gz	KMJTWZMOXHNKKC-OVWQWFNUSA-N	2	0	364.559	2.457	10	30		FEEERP