smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH+]c(N)nc(N)c1C#C[C@H](C)c1ccc(-c2ccccc2)cc1	ZINC000169308649	529742043	/nfs/dbraw/zinc/74/20/43/529742043.db2.gz	FVPBFFSSCFYKLN-HNNXBMFYSA-N	1	1	342.446	4.026	1	30		EIEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(Oc1ccc(C#N)cc1)(c1ccc(F)cc1)C2	ZINC000028875989	202179096	/nfs/dbraw/zinc/17/90/96/202179096.db2.gz	VYWBQSPRDTZVQD-PMSBKCLSSA-N	1	1	336.410	4.228	1	30		EIEFMO
Cc1nc(Oc2ccc3c(c2)CC[N@@H+](C2CCC2)CC3)ccc1C#N	ZINC000103243316	204069000	/nfs/dbraw/zinc/06/90/00/204069000.db2.gz	OKLSHSUVFJAFAO-UHFFFAOYSA-N	1	1	333.435	4.007	1	30		EIEFMO
CCN(/C=[NH+]/c1c(C=O)c(-c2ccccc2)nn1-c1ccccc1)CC	ZINC000102410008	219200730	/nfs/dbraw/zinc/20/07/30/219200730.db2.gz	JXYULSUSJGKIJV-CJLVFECKSA-N	1	1	346.434	4.353	1	30		EIEFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(C#N)cc1)C2	ZINC000103271704	219280140	/nfs/dbraw/zinc/28/01/40/219280140.db2.gz	KTKDQJBJFJGYTJ-CBPXPLCBSA-N	1	1	332.447	4.289	1	30		EIEFMO
CCCCCCCNC(=O)Oc1cccc2c1OC[C@@H]1CC[N@@H+](C)[C@@H]21	ZINC000036286944	581093393	/nfs/dbraw/zinc/09/33/93/581093393.db2.gz	LCLQRXYSCAZUJT-MAUKXSAKSA-N	1	1	346.471	4.131	1	30		EIEFMO
N#Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](CC5CC5)C[C@@H]43)cc2)cc1	ZINC000043120396	213562214	/nfs/dbraw/zinc/56/22/14/213562214.db2.gz	XEUBHDVWPSGZRK-GGAORHGYSA-N	1	1	343.474	4.146	1	30		EIEFMO
CCCCCCCNC(=O)Oc1cccc2c1OC[C@H]1CC[N@@H+](C)[C@H]21	ZINC000036286937	581093396	/nfs/dbraw/zinc/09/33/96/581093396.db2.gz	LCLQRXYSCAZUJT-QAPCUYQASA-N	1	1	346.471	4.131	1	30		EIEFMO
C=CC[N@@H+]1[C@@H]2CCC[C@H]1CC(OC(=O)Nc1cc(C)ccc1OC)C2	ZINC000040380097	213295013	/nfs/dbraw/zinc/29/50/13/213295013.db2.gz	PMGQZSWVRBLZRG-SJPCQFCGSA-N	1	1	344.455	4.124	1	30		EIEFMO
C=CC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2	ZINC000004887890	210313015	/nfs/dbraw/zinc/31/30/15/210313015.db2.gz	UUQVNTQDTJDZKT-ALOPSCKCSA-N	1	1	349.931	4.198	1	30		EIEFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(C#N)cc1)C2	ZINC000100834432	219108744	/nfs/dbraw/zinc/10/87/44/219108744.db2.gz	KTKDQJBJFJGYTJ-CLAROIROSA-N	1	1	332.447	4.289	1	30		EIEFMO
Cc1[nH+]ccn1/C(=N\O)c1ccc(C)nc1Oc1ccc(Cl)cc1	ZINC000072181821	216067152	/nfs/dbraw/zinc/06/71/52/216067152.db2.gz	NACKNRLSIUBFDP-PGMHBOJBSA-N	1	1	342.786	4.025	1	30		EIEFMO
CCCCCCCNC(=O)Oc1cccc2c1OC[C@H]1CC[N@@H+](C)[C@@H]21	ZINC000036286940	581093428	/nfs/dbraw/zinc/09/34/28/581093428.db2.gz	LCLQRXYSCAZUJT-CRAIPNDOSA-N	1	1	346.471	4.131	1	30		EIEFMO
O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1/[NH+]=C/N1CCCC1	ZINC000102396282	219199538	/nfs/dbraw/zinc/19/95/38/219199538.db2.gz	HDUVXZYIAATFAC-CJLVFECKSA-N	1	1	344.418	4.107	1	30		EIEFMO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2CCCCCCC#N	ZINC000013835870	211647928	/nfs/dbraw/zinc/64/79/28/211647928.db2.gz	XKDFSTVBCWLGSK-CZAAIQMYSA-N	1	1	326.484	4.390	1	30		EIEFMO
CCCCCCCCC[N@H+]1CCN2CCc3cc(O)c(O)cc3[C@@H]2C1	ZINC000049761856	214031482	/nfs/dbraw/zinc/03/14/82/214031482.db2.gz	LXSNDUASJVKMED-IBGZPJMESA-N	1	1	346.515	4.063	1	30		EIEFMO
CSC(=O)C#CC(C)(C)[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000040836150	213392249	/nfs/dbraw/zinc/39/22/49/213392249.db2.gz	PSIWZIUQNDSCAG-UHFFFAOYSA-N	1	1	337.488	4.360	1	30		EIEFMO
CCCCCCCNC(=O)Oc1cccc2c1OC[C@@H]1CC[N@@H+](C)[C@H]21	ZINC000014947453	581093407	/nfs/dbraw/zinc/09/34/07/581093407.db2.gz	LCLQRXYSCAZUJT-YJBOKZPZSA-N	1	1	346.471	4.131	1	30		EIEFMO
CCc1[nH+]c(N)nc(N)c1C#C[C@@H](C)c1ccc(-c2ccccc2)cc1	ZINC000169308647	529742153	/nfs/dbraw/zinc/74/21/53/529742153.db2.gz	FVPBFFSSCFYKLN-OAHLLOKOSA-N	1	1	342.446	4.026	1	30		EIEFMO
CC(C)[N@H+]1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1	ZINC000062178479	214704268	/nfs/dbraw/zinc/70/42/68/214704268.db2.gz	MMWVEAWQNYFYOU-IRLDBZIGSA-N	1	1	331.463	4.144	1	30		EIEFMO