smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(#Cc1ccc(C#CC[NH+]2CCCC2)cc1)C[NH+]1CCCC1	ZINC000000970458	371655094	/nfs/dbraw/zinc/65/50/94/371655094.db2.gz	MSBDCFQVJOVSKX-UHFFFAOYSA-N	2	0	292.426	2.581	50	30		CFEARP
C[C@H](CNC(=[NH2+])Nc1ccccc1)C[NH+]1CCCCC1	ZINC000052047738	373433052	/nfs/dbraw/zinc/43/30/52/373433052.db2.gz	ZDRNCIRTUCLNPZ-CQSZACIVSA-N	2	0	274.412	2.535	50	30		CFEARP
CC[C@]1(C)C[C@@]2(CCC[N@H+](CC#CC[NH+](C)C)C2)CCO1	ZINC000001794661	371706872	/nfs/dbraw/zinc/70/68/72/371706872.db2.gz	YSTCJAQWGIWABF-QZTJIDSGSA-N	2	0	292.467	2.613	50	30		CFEARP
CC1(C)CC(NC2=[NH+]CCCCC2)CC(C)(C)[NH2+]1	ZINC000002659639	278183792	/nfs/dbraw/zinc/18/37/92/278183792.db2.gz	WBUGSJLRJZCJOZ-UHFFFAOYSA-N	2	0	251.418	2.858	50	30		CFEARP
C[NH+](C)/C=C/C=C/C1=CC(=O)/C(=C/C=C/[NH+](C)C)CC1	ZINC000055484104	346590273	/nfs/dbraw/zinc/59/02/73/346590273.db2.gz	MJXNHAUSRCQYNC-ZHBHOLCMSA-N	2	0	272.392	2.909	50	30		CFEARP
N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000047970977	373135809	/nfs/dbraw/zinc/13/58/09/373135809.db2.gz	SHOUUPDAMOFIBQ-UHFFFAOYSA-N	2	0	283.419	2.866	50	30		CFEARP
C[C@@H]1C/C(=C\C=C\[NH+](C)C)C(=O)/C(=C\C=C\[NH+](C)C)C1	ZINC000954191286	623787672	/nfs/dbraw/zinc/78/76/72/623787672.db2.gz	HZTNVWFOZYJJLD-GROLDSBPSA-N	2	0	274.408	2.989	50	30		CFEARP
N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000047968910	373134844	/nfs/dbraw/zinc/13/48/44/373134844.db2.gz	CPTODPCOBNHRNZ-UHFFFAOYSA-N	2	0	283.419	2.866	50	30		CFEARP
C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1	ZINC000011094980	371918435	/nfs/dbraw/zinc/91/84/35/371918435.db2.gz	VWAYTHFDWAAOMA-UHFFFAOYSA-N	2	0	279.387	2.910	50	30		CFEARP
N#[N+]CC(=O)CCCCCCCCC(=O)C[N+]#N	ZINC000002028815	534972838	/nfs/dbraw/zinc/97/28/38/534972838.db2.gz	YYZYXQGRYOUEQB-UHFFFAOYSA-N	2	0	252.318	2.952	50	30		CFEARP
CC[C@]1(C)C[C@]2(CCC[N@H+](CC#CC[NH+](C)C)C2)CCO1	ZINC000004023337	371829550	/nfs/dbraw/zinc/82/95/50/371829550.db2.gz	YSTCJAQWGIWABF-MSOLQXFVSA-N	2	0	292.467	2.613	50	30		CFEARP
C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1	ZINC000095421888	375441343	/nfs/dbraw/zinc/44/13/43/375441343.db2.gz	MIQNDANVQFTQRK-OAHLLOKOSA-N	2	0	286.419	2.691	50	30		CFEARP
C[C@H]1CC/C(=C\C=C\[NH+](C)C)C(=O)/C1=C\C=C\[NH+](C)C	ZINC000016134077	651240179	/nfs/dbraw/zinc/24/01/79/651240179.db2.gz	FZWHTLJRASFMLX-NPDMNSRHSA-N	2	0	274.408	2.989	50	30		CFEARP
CCCCCCCCCCCC(=O)N(CC[NH3+])CC[NH3+]	ZINC000101012047	375631985	/nfs/dbraw/zinc/63/19/85/375631985.db2.gz	CACWQNPWKQPNLQ-UHFFFAOYSA-N	2	0	285.476	2.653	50	30		CFEARP
C=CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000193329516	526664243	/nfs/dbraw/zinc/66/42/43/526664243.db2.gz	GNRGSHHPSHTUCV-ALOPSCKCSA-N	2	0	256.393	2.958	50	30		CFEARP
C=C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1	ZINC000820443835	781869283	/nfs/dbraw/zinc/86/92/83/781869283.db2.gz	NMWYQAXRPDMQKI-HNNXBMFYSA-N	2	0	274.408	2.635	50	30		CFEARP
C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1	ZINC000095421887	375440525	/nfs/dbraw/zinc/44/05/25/375440525.db2.gz	MIQNDANVQFTQRK-HNNXBMFYSA-N	2	0	286.419	2.691	50	30		CFEARP
C[C@H]1C/C(=C\C=C\[NH+](C)C)C(=O)/C(=C\C=C\[NH+](C)C)C1	ZINC000954191287	623787275	/nfs/dbraw/zinc/78/72/75/623787275.db2.gz	HZTNVWFOZYJJLD-VKUUZFKKSA-N	2	0	274.408	2.989	50	30		CFEARP
C=C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1	ZINC000820443836	781868410	/nfs/dbraw/zinc/86/84/10/781868410.db2.gz	NMWYQAXRPDMQKI-OAHLLOKOSA-N	2	0	274.408	2.635	50	30		CFEARP
CC[C@@]1(C)C[C@]2(CCC[N@H+](CC#CC[NH+](C)C)C2)CCO1	ZINC000004023338	371829402	/nfs/dbraw/zinc/82/94/02/371829402.db2.gz	YSTCJAQWGIWABF-ROUUACIJSA-N	2	0	292.467	2.613	50	30		CFEARP
C=CCC(O)(CC=C)C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000063855510	393629877	/nfs/dbraw/zinc/62/98/77/393629877.db2.gz	CFPCVYYMBQNEIU-DLBZAZTESA-N	2	0	292.467	2.724	50	30		CFEARP
C[C@H]1CC/C(=C\C=C\[NH+](C)C)C(=O)/C1=C/C=C/[NH+](C)C	ZINC000100315944	617773279	/nfs/dbraw/zinc/77/32/79/617773279.db2.gz	FZWHTLJRASFMLX-QYYCMFAFSA-N	2	0	274.408	2.989	50	30		CFEARP
CCn1cc(C[NH+]2CCC([C@H](C)[NH+](C)C)CC2)cc1C#N	ZINC000077437730	374562561	/nfs/dbraw/zinc/56/25/61/374562561.db2.gz	SLHFENXHGTWTRD-AWEZNQCLSA-N	2	0	288.439	2.542	50	30		CFEARP
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)o1	ZINC000071681960	176245306	/nfs/dbraw/zinc/24/53/06/176245306.db2.gz	XQSNDDYQDSNISK-CYBMUJFWSA-N	2	0	281.359	2.599	50	30		CFEARP
CC1C/C(=C\C=C\[NH+](C)C)C(=O)/C(=C/C=C/[NH+](C)C)C1	ZINC000016133975	372099712	/nfs/dbraw/zinc/09/97/12/372099712.db2.gz	HZTNVWFOZYJJLD-QHWIZYIMSA-N	2	0	274.408	2.989	50	30		CFEARP
C=CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])ccc1OC	ZINC000426677432	383408812	/nfs/dbraw/zinc/40/88/12/383408812.db2.gz	IJPNNIUNHIAZHA-VQFNDLOPSA-N	2	0	286.419	2.593	50	30		CFEARP
CC1(C)CC([NH2+]Cc2ccc(C#N)cc2)CC(C)(C)[NH2+]1	ZINC000020143330	171029156	/nfs/dbraw/zinc/02/91/56/171029156.db2.gz	REDYNFHTORUMNK-UHFFFAOYSA-N	2	0	271.408	2.957	50	30		CFEARP
C[C@@H]1CC/C(=C\C=C\[NH+](C)C)C(=O)/C1=C/C=C/[NH+](C)C	ZINC000100315940	617773400	/nfs/dbraw/zinc/77/34/00/617773400.db2.gz	FZWHTLJRASFMLX-JQOBRYIWSA-N	2	0	274.408	2.989	50	30		CFEARP
C[C@@H]1CC/C(=C\C=C\[NH+](C)C)C(=O)/C1=C\C=C\[NH+](C)C	ZINC000016134076	651240016	/nfs/dbraw/zinc/24/00/16/651240016.db2.gz	FZWHTLJRASFMLX-NXCPCKAHSA-N	2	0	274.408	2.989	50	30		CFEARP
CCNC(NCc1cccc(C[NH+](CC)CC)c1)=[NH+]CC	ZINC000066243563	373920665	/nfs/dbraw/zinc/92/06/65/373920665.db2.gz	WFPUARDGEBFOGK-UHFFFAOYSA-N	2	0	290.455	2.603	50	30		CFEARP
CCn1cc(C[NH+]2CCC([C@@H](C)[NH+](C)C)CC2)cc1C#N	ZINC000077437728	374561302	/nfs/dbraw/zinc/56/13/02/374561302.db2.gz	SLHFENXHGTWTRD-CQSZACIVSA-N	2	0	288.439	2.542	50	30		CFEARP
C[C@@H](CNC(=[NH2+])Nc1ccccc1)C[NH+]1CCCCC1	ZINC000052047736	524309521	/nfs/dbraw/zinc/30/95/21/524309521.db2.gz	ZDRNCIRTUCLNPZ-AWEZNQCLSA-N	2	0	274.412	2.535	50	30		CFEARP
Cc1c([S+](C)C)c2ccccn2c1[S+](C)C	ZINC000004566309	169984672	/nfs/dbraw/zinc/98/46/72/169984672.db2.gz	OIQBHVJSCDFSBP-UHFFFAOYSA-N	2	0	253.436	2.721	50	30		CFEARP
C[NH+](C)C1(CNC(=[NH2+])Nc2ccc(F)cc2F)CCCC1	ZINC000069514445	524034393	/nfs/dbraw/zinc/03/43/93/524034393.db2.gz	KWDMMANHGIHIPU-UHFFFAOYSA-N	2	0	296.365	2.566	50	30		CFEARP
C=CC/[NH+]=C(\SCC[NH+](CC)CC)N(CC)CC	ZINC000016693701	372118364	/nfs/dbraw/zinc/11/83/64/372118364.db2.gz	GJTOCYMZLZSZDV-PFONDFGASA-N	2	0	271.474	2.945	50	30		CFEARP
C#C[C@H](CCC)[NH2+][C@]1(C[NH3+])CCC[C@@H](C(C)C)C1	ZINC000229943505	778284506	/nfs/dbraw/zinc/28/45/06/778284506.db2.gz	VOJYDWZEUAZVJP-BZUAXINKSA-N	2	0	250.430	2.922	50	30		CFEARP
N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1	ZINC000071681964	176245711	/nfs/dbraw/zinc/24/57/11/176245711.db2.gz	XQSNDDYQDSNISK-ZDUSSCGKSA-N	2	0	281.359	2.599	50	30		CFEARP
C#C[C@H](CCC)[NH2+][C@@]1(C[NH3+])CCC[C@@H](C(C)C)C1	ZINC000229943495	778284653	/nfs/dbraw/zinc/28/46/53/778284653.db2.gz	VOJYDWZEUAZVJP-OAGGEKHMSA-N	2	0	250.430	2.922	50	30		CFEARP
CC[N+](C)(CC)CCC#CCC[N+](C)(CC)CC	ZINC000005656994	170124611	/nfs/dbraw/zinc/12/46/11/170124611.db2.gz	JNTBUCIWGPNODX-UHFFFAOYSA-N	2	0	254.462	2.743	50	30		CFEARP
CC[C@@]1(C)C[C@@]2(CCC[N@H+](CC#CC[NH+](C)C)C2)CCO1	ZINC000004023336	393457550	/nfs/dbraw/zinc/45/75/50/393457550.db2.gz	YSTCJAQWGIWABF-ZWKOTPCHSA-N	2	0	292.467	2.613	50	30		CFEARP