smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCSC[N+](C)(CC)CC	ZINC000001568281	383904688	/nfs/dbraw/zinc/90/46/88/383904688.db2.gz	IUFWLSIECJWITH-UHFFFAOYSA-N	1	0	232.457	4.134	40	30		BIEBRO
CCCCCCCCCCCC1=[NH+]C[C@H](C)N1	ZINC000001600475	342705327	/nfs/dbraw/zinc/70/53/27/342705327.db2.gz	YWPDAKSNPWIZOX-AWEZNQCLSA-N	1	0	238.419	4.298	40	30		BIEBRO
CCCCCCCCC[NH+]1CCCCC1	ZINC000001651969	346462066	/nfs/dbraw/zinc/46/20/66/346462066.db2.gz	BUCRDENKHNZGFA-UHFFFAOYSA-N	1	0	211.393	4.223	40	30		BIEBRO
CCCCCCCCCCS/C(NC)=[NH+]/C	ZINC000001661524	346461676	/nfs/dbraw/zinc/46/16/76/346461676.db2.gz	SVUFYZWPSRJMSW-UHFFFAOYSA-N	1	0	244.448	4.066	40	30		BIEBRO
CCCCC#CC[NH+](CCCC)CCCC	ZINC000001666144	386644247	/nfs/dbraw/zinc/64/42/47/386644247.db2.gz	AECSXMBEZXREIV-UHFFFAOYSA-N	1	0	223.404	4.082	40	30		BIEBRO
CCCCCCCCC1CCC([NH3+])CC1	ZINC000001673768	346462717	/nfs/dbraw/zinc/46/27/17/346462717.db2.gz	DPNMVLWEYXMENO-UHFFFAOYSA-N	1	0	211.393	4.255	40	30		BIEBRO
CN(C)/C=[NH+]/c1c2ccccc2cc2ccccc21	ZINC000001674013	172351726	/nfs/dbraw/zinc/35/17/26/172351726.db2.gz	WSKALTVKTKSMDO-LDADJPATSA-N	1	0	248.329	4.214	40	30		BIEBRO
C[NH+]=C(Nc1ccc(Cl)c(Cl)c1)C(C)C	ZINC000001676647	383921130	/nfs/dbraw/zinc/92/11/30/383921130.db2.gz	WKPIJIAKTPHRIX-UHFFFAOYSA-N	1	0	245.153	4.090	40	30		BIEBRO
CC/C(Nc1ccccc1)=[NH+]/c1ccccc1	ZINC000001684815	383922674	/nfs/dbraw/zinc/92/26/74/383922674.db2.gz	YXRYTWNSKIUMLL-UHFFFAOYSA-N	1	0	224.307	4.239	40	30		BIEBRO
CCCCCC[NH+](CCC#N)CCCCCC	ZINC000001719210	342711040	/nfs/dbraw/zinc/71/10/40/342711040.db2.gz	ZRMKJZPGTBDDTA-UHFFFAOYSA-N	1	0	238.419	4.363	40	30		BIEBRO
CCCCCCCCc1ccc(C[NH3+])cc1	ZINC000002524630	388842202	/nfs/dbraw/zinc/84/22/02/388842202.db2.gz	DHTAZFYWZBSXHJ-UHFFFAOYSA-N	1	0	219.372	4.048	40	30		BIEBRO
C=C(C)C[C@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1ccccc12	ZINC000004434664	188335939	/nfs/dbraw/zinc/33/59/39/188335939.db2.gz	ZVZCYSQBQLWXCC-OWCLPIDISA-N	1	0	241.378	4.179	40	30		BIEBRO
C=C(C)C[C@@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1ccccc12	ZINC000004434665	347819160	/nfs/dbraw/zinc/81/91/60/347819160.db2.gz	ZVZCYSQBQLWXCC-HRCADAONSA-N	1	0	241.378	4.179	40	30		BIEBRO
CCCCCC[NH+](CCS)CCCCCC	ZINC000005259952	342760925	/nfs/dbraw/zinc/76/09/25/342760925.db2.gz	HLNONIHRAPGNGD-UHFFFAOYSA-N	1	0	245.476	4.379	40	30		BIEBRO
C=CCCC/C=C/C[NH2+]CCCCCC	ZINC000005418088	346618219	/nfs/dbraw/zinc/61/82/19/346618219.db2.gz	JQVXNDRHHBCATL-ZRDIBKRKSA-N	1	0	209.377	4.069	40	30		BIEBRO
C=CCCC/C=C/C[NH+](CCC)CCC	ZINC000005430730	187329640	/nfs/dbraw/zinc/32/96/40/187329640.db2.gz	VUJHCBNLWSSTLX-ZHACJKMWSA-N	1	0	209.377	4.021	40	30		BIEBRO
CCCCC#CC#CCCCCCCC[NH+](C)C	ZINC000005457334	355357779	/nfs/dbraw/zinc/35/77/79/355357779.db2.gz	DTZKWSJQLMCQHE-UHFFFAOYSA-N	1	0	247.426	4.086	40	30		BIEBRO
CCCC/N=C/c1ccc(/C=[NH+]/CCCC)cc1	ZINC000015781223	355866247	/nfs/dbraw/zinc/86/62/47/355866247.db2.gz	CDROIJAGZGVSOY-HBKJEHTGSA-N	1	0	244.382	4.125	40	30		BIEBRO
CC(/C=C\c1ccccc1)=[NH+]\c1ccccc1	ZINC000016979041	187588236	/nfs/dbraw/zinc/58/82/36/187588236.db2.gz	SWZIFMPZYZSWMD-XGTYQIHLSA-N	1	0	221.303	4.492	40	30		BIEBRO
CC(/C=C/c1ccccc1)=[NH+]\c1ccccc1	ZINC000016979047	188281253	/nfs/dbraw/zinc/28/12/53/188281253.db2.gz	SWZIFMPZYZSWMD-MIFVOYFBSA-N	1	0	221.303	4.492	40	30		BIEBRO
CCCC[C@@H](CC)C/[NH+]=C/c1ccc(OC)cc1	ZINC000017013606	342919211	/nfs/dbraw/zinc/91/92/11/342919211.db2.gz	KMOAOJBEOKSOEB-INQVIGDZSA-N	1	0	247.382	4.331	40	30		BIEBRO
C/C(=[NH+]\[C@H](C)CC(C)C)c1ccc(C)cc1	ZINC000017301824	342923293	/nfs/dbraw/zinc/92/32/93/342923293.db2.gz	PUTQGQUNMQJNFX-ZPTIMJQQSA-N	1	0	217.356	4.239	40	30		BIEBRO
C/C(=[NH+]\[C@@H](C)CC(C)C)c1ccc(C)cc1	ZINC000017301826	384484697	/nfs/dbraw/zinc/48/46/97/384484697.db2.gz	PUTQGQUNMQJNFX-YZGLPLCXSA-N	1	0	217.356	4.239	40	30		BIEBRO
CCCC[C@H](CC)C/[NH+]=C/c1ccc(OC)cc1	ZINC000017376749	521163702	/nfs/dbraw/zinc/16/37/02/521163702.db2.gz	KMOAOJBEOKSOEB-DLRWLJPMSA-N	1	0	247.382	4.331	40	30		BIEBRO
CC(C)C[C@@H](C)/[NH+]=C1\C=CCC[C@@H]1C(C)C	ZINC000017783985	342928266	/nfs/dbraw/zinc/92/82/66/342928266.db2.gz	JVGWTFUPNVXLGT-LPPHJRPXSA-N	1	0	221.388	4.484	40	30		BIEBRO
CC(C)C[C@H](C)/[NH+]=C1\C=CCC[C@@H]1C(C)C	ZINC000018097865	342931519	/nfs/dbraw/zinc/93/15/19/342931519.db2.gz	JVGWTFUPNVXLGT-CZYXKEEPSA-N	1	0	221.388	4.484	40	30		BIEBRO
CCCCCCCC[NH+]1CCCCCC1	ZINC000059663554	385050100	/nfs/dbraw/zinc/05/01/00/385050100.db2.gz	BOEAMDHTCRYVRX-UHFFFAOYSA-N	1	0	211.393	4.223	40	30		BIEBRO
C=CC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000071976839	387124126	/nfs/dbraw/zinc/12/41/26/387124126.db2.gz	MSAUTZPTSIHKQG-UHFFFAOYSA-N	1	0	247.341	4.269	40	30		BIEBRO
CC[P@@+](C)(Cc1ccccc1)c1ccccc1	ZINC000073296627	384247039	/nfs/dbraw/zinc/24/70/39/384247039.db2.gz	JCZLWVGMPZRUCK-KRWDZBQOSA-N	1	0	243.310	4.179	40	30		BIEBRO
CC[P@+](C)(Cc1ccccc1)c1ccccc1	ZINC000073296630	384245709	/nfs/dbraw/zinc/24/57/09/384245709.db2.gz	JCZLWVGMPZRUCK-QGZVFWFLSA-N	1	0	243.310	4.179	40	30		BIEBRO
CCCCCCC[C@H]([NH3+])c1ccccc1	ZINC000079900505	384520995	/nfs/dbraw/zinc/52/09/95/384520995.db2.gz	CTHTZUPOVLIAKY-AWEZNQCLSA-N	1	0	205.345	4.047	40	30		BIEBRO
CCCCCCC[C@@H]([NH3+])c1ccccc1	ZINC000079900507	168656266	/nfs/dbraw/zinc/65/62/66/168656266.db2.gz	CTHTZUPOVLIAKY-CQSZACIVSA-N	1	0	205.345	4.047	40	30		BIEBRO
CCCCCCCC[N@@H+](CCC#N)CCCC	ZINC000100923381	384658343	/nfs/dbraw/zinc/65/83/43/384658343.db2.gz	XRFNYTDWOLRXAO-UHFFFAOYSA-N	1	0	238.419	4.363	40	30		BIEBRO
CCCCCCC[C@H]([NH3+])c1cccs1	ZINC000102008648	168657663	/nfs/dbraw/zinc/65/76/63/168657663.db2.gz	UQQHXDWYXJQGOE-NSHDSACASA-N	1	0	211.374	4.108	40	30		BIEBRO
CCCCCCC[C@@H]([NH3+])c1cccs1	ZINC000102008651	384696772	/nfs/dbraw/zinc/69/67/72/384696772.db2.gz	UQQHXDWYXJQGOE-LLVKDONJSA-N	1	0	211.374	4.108	40	30		BIEBRO
CCCCCCCCC[NH2+][C@H]1C=CCCC1	ZINC000104059816	520027681	/nfs/dbraw/zinc/02/76/81/520027681.db2.gz	PENPLZGRPXOBEL-HNNXBMFYSA-N	1	0	223.404	4.435	40	30		BIEBRO
CCCCCCCCC[NH2+][C@@H]1C=CCCC1	ZINC000104059819	520028183	/nfs/dbraw/zinc/02/81/83/520028183.db2.gz	PENPLZGRPXOBEL-OAHLLOKOSA-N	1	0	223.404	4.435	40	30		BIEBRO
CCCC[C@@H](CC)C/[NH+]=C\c1ccc(OC)cc1	ZINC000104064095	521022584	/nfs/dbraw/zinc/02/25/84/521022584.db2.gz	KMOAOJBEOKSOEB-CPZHOGDASA-N	1	0	247.382	4.331	40	30		BIEBRO
CCCC[C@H](CC)C/[NH+]=C\c1ccc(OC)cc1	ZINC000104064101	521163890	/nfs/dbraw/zinc/16/38/90/521163890.db2.gz	KMOAOJBEOKSOEB-ZSRMJVKVSA-N	1	0	247.382	4.331	40	30		BIEBRO
CN(C)/C=[NH+]\c1c2ccccc2cc2ccccc21	ZINC000104147798	172351826	/nfs/dbraw/zinc/35/18/26/172351826.db2.gz	WSKALTVKTKSMDO-PDGQHHTCSA-N	1	0	248.329	4.214	40	30		BIEBRO
CCCCCCCCCCCC1=[NH+]C[C@@H](C)N1	ZINC000104261096	519985860	/nfs/dbraw/zinc/98/58/60/519985860.db2.gz	YWPDAKSNPWIZOX-CQSZACIVSA-N	1	0	238.419	4.298	40	30		BIEBRO
C/C(=[NH+]/[C@@H](C)CC(C)C)c1ccc(C)cc1	ZINC000104361634	384823882	/nfs/dbraw/zinc/82/38/82/384823882.db2.gz	PUTQGQUNMQJNFX-YXNALHSASA-N	1	0	217.356	4.239	40	30		BIEBRO
C/C(=[NH+]/[C@H](C)CC(C)C)c1ccc(C)cc1	ZINC000104361639	384824104	/nfs/dbraw/zinc/82/41/04/384824104.db2.gz	PUTQGQUNMQJNFX-XUVDNFPMSA-N	1	0	217.356	4.239	40	30		BIEBRO
CCCCCCC[C@H]([NH3+])c1ccsc1	ZINC000107552890	384978582	/nfs/dbraw/zinc/97/85/82/384978582.db2.gz	UIVCMKBITBEYOW-LBPRGKRZSA-N	1	0	211.374	4.108	40	30		BIEBRO
CCCCCCC[C@@H]([NH3+])c1ccsc1	ZINC000107552893	384980056	/nfs/dbraw/zinc/98/00/56/384980056.db2.gz	UIVCMKBITBEYOW-GFCCVEGCSA-N	1	0	211.374	4.108	40	30		BIEBRO
CC(C)[S+](c1ccccc1)c1ccccc1	ZINC000117002852	368413654	/nfs/dbraw/zinc/41/36/54/368413654.db2.gz	PQUNDWWERWQRQT-UHFFFAOYSA-N	1	0	229.368	4.131	40	30		BIEBRO
C/C(=C/C=[NH+]/C(C)(C)C)C[Si](C)(C)C	ZINC000195751512	368413825	/nfs/dbraw/zinc/41/38/25/368413825.db2.gz	BOLUBIYKJJKYQE-ZXXZFBTCSA-N	1	0	211.425	4.140	40	30		BIEBRO
CCCCCCCCC#CC[NH+](CC)CC	ZINC000196328786	643636375	/nfs/dbraw/zinc/63/63/75/643636375.db2.gz	RCTYFTKPFOTKDV-UHFFFAOYSA-N	1	0	223.404	4.082	40	30		BIEBRO
CCCCCCCC[Si](C)(C)[NH+](C)C	ZINC000198829387	385523919	/nfs/dbraw/zinc/52/39/19/385523919.db2.gz	HVOFQSDLPSCYBH-UHFFFAOYSA-N	1	0	215.457	4.114	40	30		BIEBRO
C/C(=C/C=[NH+]\C(C)(C)C)C[Si](C)(C)C	ZINC000299888252	352549626	/nfs/dbraw/zinc/54/96/26/352549626.db2.gz	BOLUBIYKJJKYQE-PHRMNRNWSA-N	1	0	211.425	4.140	40	30		BIEBRO