smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H](CO)Nc1cc([S-])cc(S)c1	ZINC001169784639	969858170	/nfs/dbraw/zinc/85/81/70/969858170.db2.gz	PEXQERORKVXNPB-ZETCQYMHSA-N	-1	2	227.354	2.223	20	30		BEEDLM
C#CC[N@@H+](C)Cc1cccc(Cl)c1O	ZINC001231912452	977799921	/nfs/dbraw/zinc/79/99/21/977799921.db2.gz	GYLHCDRACWLOEP-UHFFFAOYSA-N	-1	2	209.676	2.111	20	30		BEEDLM
C#CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O	ZINC001237622685	979977617	/nfs/dbraw/zinc/97/76/17/979977617.db2.gz	WTEBOXLSCRKHIU-UHFFFAOYSA-N	-1	2	227.666	2.250	20	30		BEEDLM
C=C[C@@H](C)ONC(=O)Nc1c(C)cc[nH+]c1C	ZINC000844658059	588212695	/nfs/dbraw/zinc/21/26/95/588212695.db2.gz	PFBZDQOBEZPVMS-SECBINFHSA-N	-1	2	235.287	2.326	20	30		BEEDLM
C[C@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1O	ZINC000272291452	397977140	/nfs/dbraw/zinc/97/71/40/397977140.db2.gz	OGKBOIVZKZTKDP-SECBINFHSA-N	-1	2	222.263	2.123	20	30		BEEDLM
C=C[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234339661	978822555	/nfs/dbraw/zinc/82/25/55/978822555.db2.gz	RGVHEWRRYUOBKB-QMMMGPOBSA-N	-1	2	244.183	2.111	20	30		BEEDLM
C=C[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234339661	978822557	/nfs/dbraw/zinc/82/25/57/978822557.db2.gz	RGVHEWRRYUOBKB-QMMMGPOBSA-N	-1	2	244.183	2.111	20	30		BEEDLM
C[C@@H](CC#N)[NH2+]Cc1cc(O)ccc1Cl	ZINC000602871276	349802592	/nfs/dbraw/zinc/80/25/92/349802592.db2.gz	PPVYGUHWNXWTTL-QMMMGPOBSA-N	-1	2	224.691	2.437	20	30		BEEDLM
COc1cc[nH+]cc1Nc1cc(C#N)ccc1O	ZINC001176122853	977955292	/nfs/dbraw/zinc/95/52/92/977955292.db2.gz	JWJBHTFTGHIOEP-UHFFFAOYSA-N	-1	2	241.250	2.411	20	30		BEEDLM
COC(=O)[C@H]1CC[C@@H](/[NH+]=C/c2ccccc2O)C1	ZINC000193257582	347393895	/nfs/dbraw/zinc/39/38/95/347393895.db2.gz	XNJGCXUEDLIZIX-DLVFKZMPSA-N	-1	2	247.294	2.153	20	30		BEEDLM
Cc1cc(=O)[nH]c(O[C@@H](C)C2=CC=C[CH]2)c1C#N	ZINC001226222869	974831745	/nfs/dbraw/zinc/83/17/45/974831745.db2.gz	JCUUGJAAVHHRRH-JTQLQIEISA-N	-1	2	241.270	2.435	20	30		BEEDLM
C=C[C@H]1CCCC[N@H+]1Cc1nc(CC)cc(=O)[nH]1	ZINC000489428890	388212336	/nfs/dbraw/zinc/21/23/36/388212336.db2.gz	FOLBDWVMOKPCHP-LBPRGKRZSA-N	-1	2	247.342	2.285	20	30		BEEDLM
C#CC[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1	ZINC000894469105	583467830	/nfs/dbraw/zinc/46/78/30/583467830.db2.gz	CXKMEUGYTXHXQS-UHFFFAOYSA-N	-1	2	237.249	2.268	20	30		BEEDLM
Cc1cc(=O)[nH]c(O[C@H](C)C2=CC=C[CH]2)c1C#N	ZINC001226222870	974831757	/nfs/dbraw/zinc/83/17/57/974831757.db2.gz	JCUUGJAAVHHRRH-SNVBAGLBSA-N	-1	2	241.270	2.435	20	30		BEEDLM
CCCCCCN(O)C(=O)[C@@H](C)n1cc[nH+]c1	ZINC001332492682	975169201	/nfs/dbraw/zinc/16/92/01/975169201.db2.gz	KATCPBOATRTXKP-LLVKDONJSA-N	-1	2	239.319	2.242	20	30		BEEDLM
CCCCCCN(O)C(=O)[C@H](C)n1cc[nH+]c1	ZINC001332492683	975171209	/nfs/dbraw/zinc/17/12/09/975171209.db2.gz	KATCPBOATRTXKP-NSHDSACASA-N	-1	2	239.319	2.242	20	30		BEEDLM
C[C@H](CC#N)[NH2+]Cc1cc(O)ccc1Cl	ZINC000602871275	349802696	/nfs/dbraw/zinc/80/26/96/349802696.db2.gz	PPVYGUHWNXWTTL-MRVPVSSYSA-N	-1	2	224.691	2.437	20	30		BEEDLM
C=C[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1	ZINC001234339657	978823164	/nfs/dbraw/zinc/82/31/64/978823164.db2.gz	RGVHEWRRYUOBKB-MRVPVSSYSA-N	-1	2	244.183	2.111	20	30		BEEDLM
C=C[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1	ZINC001234339657	978823166	/nfs/dbraw/zinc/82/31/66/978823166.db2.gz	RGVHEWRRYUOBKB-MRVPVSSYSA-N	-1	2	244.183	2.111	20	30		BEEDLM
C=C[C@H](C)ONC(=O)Nc1c(C)cc[nH+]c1C	ZINC000844658060	588212593	/nfs/dbraw/zinc/21/25/93/588212593.db2.gz	PFBZDQOBEZPVMS-VIFPVBQESA-N	-1	2	235.287	2.326	20	30		BEEDLM
CC1(CC/[NH+]=C/c2ccc(O)c(O)c2O)CC1	ZINC000280937163	351866866	/nfs/dbraw/zinc/86/68/66/351866866.db2.gz	IMZHFHYAHLLNJX-RIYZIHGNSA-N	-1	2	235.283	2.413	20	30		BEEDLM
C=C[C@@H]1CCCC[N@H+]1Cc1nc(CC)cc(=O)[nH]1	ZINC000489428888	388212456	/nfs/dbraw/zinc/21/24/56/388212456.db2.gz	FOLBDWVMOKPCHP-GFCCVEGCSA-N	-1	2	247.342	2.285	20	30		BEEDLM
C[C@H](C#N)C[NH2+]Cc1cc(O)cc(Cl)c1	ZINC000893545711	583161307	/nfs/dbraw/zinc/16/13/07/583161307.db2.gz	XAQZXOOSNNQBOM-MRVPVSSYSA-N	-1	2	224.691	2.295	20	30		BEEDLM
CCCC[N@H+](CCC#N)Cc1ccncc1O	ZINC001140278744	991573281	/nfs/dbraw/zinc/57/32/81/991573281.db2.gz	VDQINKKCPHVJKW-UHFFFAOYSA-N	-1	2	233.315	2.303	20	30		BEEDLM
C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1O	ZINC000272291454	397977420	/nfs/dbraw/zinc/97/74/20/397977420.db2.gz	OGKBOIVZKZTKDP-VIFPVBQESA-N	-1	2	222.263	2.123	20	30		BEEDLM
C[C@@H](C#N)C[NH2+]Cc1cc(O)cc(Cl)c1	ZINC000893545712	583161517	/nfs/dbraw/zinc/16/15/17/583161517.db2.gz	XAQZXOOSNNQBOM-QMMMGPOBSA-N	-1	2	224.691	2.295	20	30		BEEDLM
C=C(C)CONC(=O)Nc1c(C)cc[nH+]c1C	ZINC000844658583	588212871	/nfs/dbraw/zinc/21/28/71/588212871.db2.gz	UWGVYDDADAGMFD-UHFFFAOYSA-N	-1	2	235.287	2.328	20	30		BEEDLM