smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1nc(C)c(C(=O)/C=C/c2ccccc2)s1	ZINC000073198157	176460617	/nfs/dbraw/zinc/46/06/17/176460617.db2.gz	DVBXYPIISYMVEN-MDZDMXLPSA-N	0	2	272.373	3.779	1	30		CHEFLN
C=C(C)[C@@H](C)N(O)c1ncc(C(F)(F)F)cc1Cl	ZINC000073196859	176460749	/nfs/dbraw/zinc/46/07/49/176460749.db2.gz	UTUSSEJEWHFWQY-SSDOTTSWSA-N	0	2	280.677	3.914	1	30		CHEFLN
O=C1Nc2ccccc2C(=O)C1N=Nc1cccc(Cl)c1	ZINC000096910614	185129060	/nfs/dbraw/zinc/12/90/60/185129060.db2.gz	UCNDNLINOMDKIR-UYRXBGFRSA-N	0	2	299.717	3.592	1	30		CHEFLN
C=CCN=Cc1sc2ccc(OCC)cc2c1O	ZINC000006657171	170222735	/nfs/dbraw/zinc/22/27/35/170222735.db2.gz	QURVTODAYUIBOK-OQLLNIDSSA-N	0	2	261.346	3.611	1	30		CHEFLN
N#Cc1cccc(/C(CSc2ccccc2)=N/O)c1	ZINC000095572158	185010344	/nfs/dbraw/zinc/01/03/44/185010344.db2.gz	HYZDAZHCHOYMFF-BMRADRMJSA-N	0	2	268.341	3.529	1	30		CHEFLN
CCCCCCC[C@@]1(c2ccccc2)OC(=O)NC1=O	ZINC000044031919	175138941	/nfs/dbraw/zinc/13/89/41/175138941.db2.gz	DNWLQPSILYIWAI-INIZCTEOSA-N	0	2	275.348	3.509	1	30		CHEFLN
Oc1c(Cl)cc(Cl)cc1C=NNc1ccccn1	ZINC000005594508	170117674	/nfs/dbraw/zinc/11/76/74/170117674.db2.gz	JGDHSTZQVZGSEG-FRKPEAEDSA-N	0	2	282.130	3.540	1	30		CHEFLN
Cc1c(/C=N/O)c(O)c(Cl)cc1-c1ccc(O)c(F)c1	ZINC000071281893	176108956	/nfs/dbraw/zinc/10/89/56/176108956.db2.gz	MHRCDUTXHCFSIW-UBKPWBPPSA-N	0	2	295.697	3.674	1	30		CHEFLN
O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1O	ZINC000006568079	170214169	/nfs/dbraw/zinc/21/41/69/170214169.db2.gz	ZAHMVLOKJSGFLB-RMKNXTFCSA-N	0	2	258.704	3.942	1	30		CHEFLN
Cc1cccc(N=NC2C(=O)Nc3c(C)cccc3C2=O)c1	ZINC000096910595	185129046	/nfs/dbraw/zinc/12/90/46/185129046.db2.gz	RZYYEBHMXFOVEJ-HKWRFOASSA-N	0	2	293.326	3.556	1	30		CHEFLN
C=CC(C)(C)c1c2occc2c(O)c2ccc(=O)oc21	ZINC000015222375	560229537	/nfs/dbraw/zinc/22/95/37/560229537.db2.gz	XYCSWDLNRXCFHA-UHFFFAOYSA-N	0	2	270.284	3.708	3	30	biogenic,in-vitro	CHEFLN
CCCCCCC[C@]1(c2ccccc2)OC(=O)NC1=O	ZINC000044031921	175138984	/nfs/dbraw/zinc/13/89/84/175138984.db2.gz	DNWLQPSILYIWAI-MRXNPFEDSA-N	0	2	275.348	3.509	1	30		CHEFLN
C=C(C)[C@H](C)N(O)c1ncc(C(F)(F)F)cc1Cl	ZINC000073196858	176460764	/nfs/dbraw/zinc/46/07/64/176460764.db2.gz	UTUSSEJEWHFWQY-ZETCQYMHSA-N	0	2	280.677	3.914	1	30		CHEFLN
Cc1cccc(N=NC2C(=O)Nc3cc(C)ccc3C2=O)c1	ZINC000096910626	185128818	/nfs/dbraw/zinc/12/88/18/185128818.db2.gz	IHYTYFRHHVBZRW-HKWRFOASSA-N	0	2	293.326	3.556	1	30		CHEFLN
COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2O)c1	ZINC000044603023	175215549	/nfs/dbraw/zinc/21/55/49/175215549.db2.gz	KEBMWWIEXQYQER-FNORWQNLSA-N	0	2	288.730	3.950	1	30		CHEFLN
Cc1cnc(Nc2ccc(C#N)cc2)nc1NC1CCCC1	ZINC000073198732	176460697	/nfs/dbraw/zinc/46/06/97/176460697.db2.gz	KHTBGJORJHTUDW-UHFFFAOYSA-N	0	2	293.374	3.755	1	30		CHEFLN