smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc(-c2n[nH]cc2N=Nc2ccccc2)cc1	ZINC000005483272	170104108	/nfs/dbraw/zinc/10/41/08/170104108.db2.gz	FEYKZYKEKLVSGU-HNENSFHCSA-N	0	0	282.734	5.146	1	10		CKCFRN
Cc1c(CN=[N+]=[N-])c(C)c(CN=[N+]=[N-])c(C)c1CN=[N+]=[N-]	ZINC000005541563	170110891	/nfs/dbraw/zinc/11/08/91/170110891.db2.gz	SUKCSQNSCGTSOU-UHFFFAOYSA-N	0	0	285.315	5.043	1	10		CKCFRN
Cc1[nH]c2ccccc2c1/N=N\c1ccc(F)cc1	ZINC000012625504	170501432	/nfs/dbraw/zinc/50/14/32/170501432.db2.gz	ZHCNMEQEIOIASE-HNENSFHCSA-N	0	0	253.280	5.031	1	10		CKCFRN
O=C1c2ccccc2C=CC1=NNc1ccc(F)cc1	ZINC000013110455	567864878	/nfs/dbraw/zinc/86/48/78/567864878.db2.gz	MASXPDHDCTUJJH-HNENSFHCSA-N	0	0	266.275	5.100	1	10		CKCFRN
Cc1ccc(NN=C2C=Cc3ccccc3C2=O)cc1	ZINC000013110456	170531898	/nfs/dbraw/zinc/53/18/98/170531898.db2.gz	MKQFEBQHAPAJFM-HNENSFHCSA-N	0	0	262.312	5.269	1	10		CKCFRN
Cc1cccc(C)c1NN=C1C(C)=CC(=O)C=C1C	ZINC000013118219	567864692	/nfs/dbraw/zinc/86/46/92/567864692.db2.gz	SWHNYDMLYMUMPA-ZCXUNETKSA-N	0	0	254.333	5.041	1	10		CKCFRN
Cc1cc(C)c(C)c(/N=N\c2nc3ccccc3n2C)c1C	ZINC000013155031	170537641	/nfs/dbraw/zinc/53/76/41/170537641.db2.gz	IIHHVYXVCPEGMQ-MRCUWXFGSA-N	0	0	292.386	5.222	1	10		CKCFRN
CC(C)=CCC1(CC=C(C)C)CC(=O)c2ccccc2C1=O	ZINC000013460490	170552063	/nfs/dbraw/zinc/55/20/63/170552063.db2.gz	QKLWDNYMOAFRTG-UHFFFAOYSA-N	0	0	296.410	5.155	1	10		CKCFRN
CC(C)c1cc2c(c(O)c1O)C=C1C=CCC(C)(C)[C@H]1CC2	ZINC000014515120	290882103	/nfs/dbraw/zinc/88/21/03/290882103.db2.gz	ZYDGMYNBSSWCGE-KRWDZBQOSA-N	0	0	298.426	5.153	1	10	biogenic,in-vitro	CKCFRN
CCC[C@@H](CC)c1cc(O)c(O)cc1[C@@H](CC)CCC	ZINC000017249063	170731008	/nfs/dbraw/zinc/73/10/08/170731008.db2.gz	XKXVDDMUFQIEFJ-OKILXGFUSA-N	0	0	278.436	5.685	1	10		CKCFRN
CC(C)CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1	ZINC000036382760	172628070	/nfs/dbraw/zinc/62/80/70/172628070.db2.gz	PJQCJAYMLUWRGE-XMHGGMMESA-N	0	0	289.422	5.346	1	10		CKCFRN
FC(F)(F)c1ccc(/N=N/c2ccccc2)cc1	ZINC000036406245	172634760	/nfs/dbraw/zinc/63/47/60/172634760.db2.gz	PWESFWBCEFITQH-ISLYRVAYSA-N	0	0	250.223	5.121	1	10		CKCFRN
CN(C)c1ccc(/C=C/c2cc3ccc(Cl)cc3o2)cc1	ZINC000040422451	174258392	/nfs/dbraw/zinc/25/83/92/174258392.db2.gz	VRBMLPZUJXRITR-BJMVGYQFSA-N	0	0	297.785	5.323	1	10		CKCFRN
Cc1ccc(/N=N/C=C2\CCCN2Cc2ccccc2)cc1	ZINC000040917721	174433379	/nfs/dbraw/zinc/43/33/79/174433379.db2.gz	ZWHGYYXGUMXLEF-ZXNVHBCMSA-N	0	0	291.398	5.216	1	10		CKCFRN
C(c1ccccc1)=C1c2ccccc2CCc2ccccc21	ZINC000044052602	175140252	/nfs/dbraw/zinc/14/02/52/175140252.db2.gz	VANWUZCCKGBSMP-UHFFFAOYSA-N	0	0	282.386	5.374	1	10		CKCFRN
O=C1c2ccccc2SC1=NNc1ccccc1	ZINC000101604423	185749458	/nfs/dbraw/zinc/74/94/58/185749458.db2.gz	NINPOLKSNFCLDI-FOCLMDBBSA-N	0	0	254.314	5.022	1	10		CKCFRN
Clc1ccc(-c2n[nH]cc2N=Nc2ccccc2)cc1	ZINC000101877804	185761775	/nfs/dbraw/zinc/76/17/75/185761775.db2.gz	FEYKZYKEKLVSGU-VHEBQXMUSA-N	0	0	282.734	5.146	1	10		CKCFRN
CC1=CC(=NNc2ccc3ccccc3c2)C=CC1=O	ZINC000102612599	567915468	/nfs/dbraw/zinc/91/54/68/567915468.db2.gz	LVDFXHJGWPGUGU-HNENSFHCSA-N	0	0	262.312	5.269	1	10		CKCFRN
CCC(=S)CCCCCCC(=O)C1CCCCC1	ZINC000086861125	179360744	/nfs/dbraw/zinc/36/07/44/179360744.db2.gz	LGURBBXGKYJICF-UHFFFAOYSA-N	0	0	268.466	5.256	2	10		CKCFRN
CCC(=S)CCCCCCC(=S)C1CCCCC1	ZINC000086864904	327159498	/nfs/dbraw/zinc/15/94/98/327159498.db2.gz	YUWXPRAQSAGSFS-UHFFFAOYSA-N	0	0	284.534	6.057	2	10		CKCFRN