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[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](OC)([C@@H]3O5)[C@@H](N=S)C1	ZINC000095584820	206217171	/nfs/dbraw/zinc/21/71/71/206217171.db2.gz	ULHPJVDCKRMPFQ-LRVUYGIZSA-N	1	1	396.512	2.652	1	30		GFEFMO
N#Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)c4cnccn4)CC3)C2)cc1	ZINC000004238148	204034282	/nfs/dbraw/zinc/03/42/82/204034282.db2.gz	GRJYIEJGBHWIOS-UHFFFAOYSA-N	1	1	375.476	2.867	1	30		GFEFMO
N#CCC[NH+]1CCC(n2c(CCn3cccn3)nc3cnc4[nH]ccc4c32)CC1	ZINC000095560976	205499834	/nfs/dbraw/zinc/49/98/34/205499834.db2.gz	NAZZHHIADOHDRQ-UHFFFAOYSA-N	1	1	388.479	2.902	1	30		GFEFMO
CN(C(=[NH2+])Nc1cc([S@](C)=O)ccc1Cl)c1cccc([S@](C)=O)c1	ZINC000036322115	205011517	/nfs/dbraw/zinc/01/15/17/205011517.db2.gz	AKPIPDYJVYYOIY-DNQXCXABSA-N	1	1	383.926	2.897	1	30		GFEFMO
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCOCC2)c1)NO	ZINC000038558373	205037471	/nfs/dbraw/zinc/03/74/71/205037471.db2.gz	PRFVRQDWLLQIJO-CMDGGOBGSA-N	1	1	392.459	2.554	1	30		GFEFMO
CCN1c2cccc(F)c2C(=[NH2+])NC12CCN(C(=O)c1ccc(C#N)cc1)CC2	ZINC000058575463	136155564	/nfs/dbraw/zinc/15/55/64/136155564.db2.gz	JKBCHMNUOBCRCN-UHFFFAOYSA-N	1	1	391.450	2.875	1	30		GFEFMO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC	ZINC000028876506	206255563	/nfs/dbraw/zinc/25/55/63/206255563.db2.gz	FKUQSZKJDBSUAF-ZDUSSCGKSA-N	1	1	383.286	2.847	1	30		GFEFMO
Cc1cn2cc(C(=O)N3CC[NH+](C)CC3)cc2c(C#Cc2ccccc2F)n1	ZINC000029125095	206255901	/nfs/dbraw/zinc/25/59/01/206255901.db2.gz	JAEDFBQWCPEFSI-UHFFFAOYSA-N	1	1	376.435	2.569	1	30		GFEFMO
C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC	ZINC000034343074	209182933	/nfs/dbraw/zinc/18/29/33/209182933.db2.gz	GKZQXGJWJBZSMC-NSHDSACASA-N	1	1	399.285	2.552	1	30		GFEFMO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC	ZINC000034343074	209182937	/nfs/dbraw/zinc/18/29/37/209182937.db2.gz	GKZQXGJWJBZSMC-NSHDSACASA-N	1	1	399.285	2.552	1	30		GFEFMO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC	ZINC000034343076	209182553	/nfs/dbraw/zinc/18/25/53/209182553.db2.gz	QSMBPKWYIRFETR-NSHDSACASA-N	1	1	399.285	2.552	1	30		GFEFMO
CC(C)[NH+]=C(NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1	ZINC000066073598	222136429	/nfs/dbraw/zinc/13/64/29/222136429.db2.gz	GRMFWMMVODPUTA-UHFFFAOYSA-N	1	1	384.267	2.893	1	30		GFEFMO
N#Cc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccno3)CC2)cc1	ZINC000072103214	222205457	/nfs/dbraw/zinc/20/54/57/222205457.db2.gz	GOBJAIHOZSCPMN-OAQYLSRUSA-N	1	1	387.443	2.925	1	30		GFEFMO
O=C(NO)c1ccc(N2C[C@@H]3C[N@H+](Cc4ccc5ccccc5c4)C[C@@H]3C2)nc1	ZINC000064539073	222072794	/nfs/dbraw/zinc/07/27/94/222072794.db2.gz	DANQOBBFZRKLFG-OYRHEFFESA-N	1	1	388.471	2.922	1	30		GFEFMO
N#Cc1ccc([C@@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccno3)CC2)cc1	ZINC000072103215	205302874	/nfs/dbraw/zinc/30/28/74/205302874.db2.gz	GOBJAIHOZSCPMN-NRFANRHFSA-N	1	1	387.443	2.925	1	30		GFEFMO
CS(=O)(=O)c1ccc(NC=CC=[NH+]c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000018252305	207097374	/nfs/dbraw/zinc/09/73/74/207097374.db2.gz	TUAXLDYICBQGIB-HGQDUMDDSA-N	1	1	378.475	2.822	1	30		GFEFMO
COc1ccc2c(c1CN1CC[NH2+]CC1)OC(=Cc1cnc3cc[nH]cc1-3)C2=O	ZINC000095558751	208231799	/nfs/dbraw/zinc/23/17/99/208231799.db2.gz	LBKHGMSDKVXRDB-JMIUGGIZSA-N	1	1	390.443	2.593	1	30		GFEFMO
CCN(C(=O)c1cc(C)cc(OCCCO[NH+]=C(N)N)c1)C1CCCCC1	ZINC000027204420	207324654	/nfs/dbraw/zinc/32/46/54/207324654.db2.gz	IZEIMEVQDCNKKC-UHFFFAOYSA-N	1	1	376.501	2.764	1	30		GFEFMO
CCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCO[NH+]=C(N)N)c1	ZINC000027207670	207324767	/nfs/dbraw/zinc/32/47/67/207324767.db2.gz	SXNBAAUZQASUCP-UHFFFAOYSA-N	1	1	382.892	2.576	1	30		GFEFMO
N#Cc1ccc(CCN2CC[NH+](CCc3ccc4c(c3)COC4=O)CC2)cc1	ZINC000095561227	208232784	/nfs/dbraw/zinc/23/27/84/208232784.db2.gz	ITKLWGVJMIJZNQ-UHFFFAOYSA-N	1	1	375.472	2.631	1	30		GFEFMO
Cc1cn2cc(C(=O)N3CC[NH+](C)CC3)cc2c(C#Cc2cccc(F)c2)n1	ZINC000029125021	206255024	/nfs/dbraw/zinc/25/50/24/206255024.db2.gz	MJKZXULVVQVVJH-UHFFFAOYSA-N	1	1	376.435	2.569	1	30		GFEFMO
C=CC[N@@H+]1CC[C@@]23c4c5c(OC(C)=O)ccc4C[C@@H]1[C@@H]2C=C[C@H](OC(C)=O)[C@@H]3O5	ZINC000004215581	209137077	/nfs/dbraw/zinc/13/70/77/209137077.db2.gz	PRQBBJWORXAHMN-JIAAILLZSA-N	1	1	395.455	2.545	1	30	in-man	GFEFMO
CCCN(CC1CCC1)C(=O)c1cc(Cl)cc(OCCCO[NH+]=C(N)N)c1	ZINC000027207673	581093918	/nfs/dbraw/zinc/09/39/18/581093918.db2.gz	QKCVFJUXRJPODC-UHFFFAOYSA-N	1	1	396.919	2.966	1	30		GFEFMO
O=C(/C=C/c1ccc(C[N@@H+](CCO)CCc2cnc3ccccc3c2)cc1)NO	ZINC000013528211	581101866	/nfs/dbraw/zinc/10/18/66/581101866.db2.gz	JVSDGNQVIROSQO-MDZDMXLPSA-N	1	1	391.471	2.790	1	30		GFEFMO
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Nc3ccc(C#N)cc3)n2)n[nH]1	ZINC000169312488	136197128	/nfs/dbraw/zinc/19/71/28/136197128.db2.gz	KGYVTIPESOORDH-UHFFFAOYSA-N	1	1	389.467	2.619	1	30		GFEFMO
Cc1cn2cc(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4C)cc2c(C#Cc2ccsc2)n1	ZINC000029124962	212109805	/nfs/dbraw/zinc/10/98/05/212109805.db2.gz	KRJYCZRCXQGCOL-ROUUACIJSA-N	1	1	376.485	2.633	1	30		GFEFMO
Cc1cn2cc(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4C)cc2c(C#Cc2ccsc2)n1	ZINC000029124962	212109808	/nfs/dbraw/zinc/10/98/08/212109808.db2.gz	KRJYCZRCXQGCOL-ROUUACIJSA-N	1	1	376.485	2.633	1	30		GFEFMO
CCOC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC[NH+](CCC#N)CC1	ZINC000095560938	222355412	/nfs/dbraw/zinc/35/54/12/222355412.db2.gz	KBCYHNNFEYIPGS-UHFFFAOYSA-N	1	1	395.467	2.709	1	30		GFEFMO