smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1nncn1N=C1CCCCCCCCCCC1	ZINC000000296508	398341887	/nfs/dbraw/zinc/34/18/87/398341887.db2.gz	FAUYEEHEQFDREO-UHFFFAOYSA-N	0	3	248.374	3.787	40	30		BHEBHN
CC(=NC(C)(C)C)Nc1ccc(Cl)cc1	ZINC000001572231	383904753	/nfs/dbraw/zinc/90/47/53/383904753.db2.gz	YZOLJYKCDKMQJZ-UHFFFAOYSA-N	0	3	224.735	3.778	40	30		BHEBHN
C=CCN[C@@H](Cc1ccccc1)c1ccccc1	ZINC000001663951	386644731	/nfs/dbraw/zinc/64/47/31/386644731.db2.gz	VAGCQWXSDKUDEY-KRWDZBQOSA-N	0	3	237.346	3.746	40	30		BHEBHN
CC(C)[C@@H](C#Cc1ccccc1)N1CCCCC1	ZINC000001737476	167340611	/nfs/dbraw/zinc/34/06/11/167340611.db2.gz	UNQIXYPRNUUZAD-QGZVFWFLSA-N	0	3	241.378	3.549	40	30		BHEBHN
CC[NH2+]C(C)(C)[C@H]([S-])c1ccc(Cl)s1	ZINC000005007946	170107859	/nfs/dbraw/zinc/10/78/59/170107859.db2.gz	WPEHCWWPUMKMHI-SECBINFHSA-N	0	3	249.832	3.761	40	30		BHEBHN
CC(C)[C@H](C#Cc1ccccc1)N1CCCCC1	ZINC000005733312	188052262	/nfs/dbraw/zinc/05/22/62/188052262.db2.gz	UNQIXYPRNUUZAD-KRWDZBQOSA-N	0	3	241.378	3.549	40	30		BHEBHN
C=CCN[C@H](Cc1ccccc1)c1ccccc1	ZINC000005852526	384133422	/nfs/dbraw/zinc/13/34/22/384133422.db2.gz	VAGCQWXSDKUDEY-QGZVFWFLSA-N	0	3	237.346	3.746	40	30		BHEBHN
CC[NH2+]C(C)(C)[C@@H]([S-])c1ccc(Cl)s1	ZINC000005887660	170107887	/nfs/dbraw/zinc/10/78/87/170107887.db2.gz	WPEHCWWPUMKMHI-VIFPVBQESA-N	0	3	249.832	3.761	40	30		BHEBHN
CC(=NC(C)C)Nc1ccc(Cl)cc1C	ZINC000017122803	188107275	/nfs/dbraw/zinc/10/72/75/188107275.db2.gz	JMOXQUXFPDYKHH-UHFFFAOYSA-N	0	3	224.735	3.696	40	30		BHEBHN
CC(C)N/C(=N/c1ccccc1)c1ccccc1	ZINC000017122832	342920854	/nfs/dbraw/zinc/92/08/54/342920854.db2.gz	LDYZZPPUPWZFOE-UHFFFAOYSA-N	0	3	238.334	3.763	40	30		BHEBHN
CN(C)/C=N/c1c2ccccc2nc2ccccc21	ZINC000018143940	172352233	/nfs/dbraw/zinc/35/22/33/172352233.db2.gz	YXOSAKBHMGRAAV-GZTJUZNOSA-N	0	3	249.317	3.609	40	30		BHEBHN
C=CCNCc1cccc(Oc2ccccc2)c1	ZINC000019875727	347517644	/nfs/dbraw/zinc/51/76/44/347517644.db2.gz	MRKKRMCHRVRVJF-UHFFFAOYSA-N	0	3	239.318	3.755	40	30		BHEBHN
CCCCCCCCCC[NH2+]C(C)(C)/C=N/[O-]	ZINC000059608743	385052336	/nfs/dbraw/zinc/05/23/36/385052336.db2.gz	RJTHHRUSTKZAHO-DTQAZKPQSA-N	0	3	242.407	3.955	40	30		BHEBHN
C#C[C@H](N)c1c2ccccc2cc2ccccc21	ZINC000085399483	166218843	/nfs/dbraw/zinc/21/88/43/166218843.db2.gz	OXMBCZXDROOKJZ-INIZCTEOSA-N	0	3	231.298	3.626	40	30		BHEBHN
C#C[C@@H](N)c1c2ccccc2cc2ccccc21	ZINC000085399485	166212516	/nfs/dbraw/zinc/21/25/16/166212516.db2.gz	OXMBCZXDROOKJZ-MRXNPFEDSA-N	0	3	231.298	3.626	40	30		BHEBHN
CCCCCCCNC(=O)C1CC2CCC1C2	ZINC000097941744	520052925	/nfs/dbraw/zinc/05/29/25/520052925.db2.gz	WPWKRTTVSJZWBF-MJBXVCDLSA-N	0	3	237.387	3.509	40	30		BHEBHN
CCCCCCCCCC(=O)CCN(C)C	ZINC000100933440	384363460	/nfs/dbraw/zinc/36/34/60/384363460.db2.gz	VALJUXLBNMAJDB-UHFFFAOYSA-N	0	3	227.392	3.648	40	30		BHEBHN
CN(C)/C=N\c1c2ccccc2nc2ccccc21	ZINC000101180498	172352766	/nfs/dbraw/zinc/35/27/66/172352766.db2.gz	YXOSAKBHMGRAAV-BOPFTXTBSA-N	0	3	249.317	3.609	40	30		BHEBHN
CCCCCCCNCC#Cc1ccccc1	ZINC000105250654	136215151	/nfs/dbraw/zinc/21/51/51/136215151.db2.gz	FUDGJFUWWBHWHD-UHFFFAOYSA-N	0	3	229.367	3.598	40	30		BHEBHN
CCCCCCCCNCC#Cc1ccccc1	ZINC000105342715	385041794	/nfs/dbraw/zinc/04/17/94/385041794.db2.gz	GTYZKNHQLWYIBE-UHFFFAOYSA-N	0	3	243.394	3.988	40	30		BHEBHN
CCCCCCC[C@H](N)c1ccc(C)o1	ZINC000105728519	491128281	/nfs/dbraw/zinc/12/82/81/491128281.db2.gz	BKOWXLVIHUVGEJ-LBPRGKRZSA-N	0	3	209.333	3.948	40	30		BHEBHN
CCCCCCC[C@@H](N)c1ccc(C)o1	ZINC000105728522	491128291	/nfs/dbraw/zinc/12/82/91/491128291.db2.gz	BKOWXLVIHUVGEJ-GFCCVEGCSA-N	0	3	209.333	3.948	40	30		BHEBHN
CCCCCCCNCc1ccnn1C(C)C	ZINC000256052938	520056759	/nfs/dbraw/zinc/05/67/59/520056759.db2.gz	PGJFRBWBZFISGO-UHFFFAOYSA-N	0	3	237.391	3.524	40	30		BHEBHN
C(=N\C1CCCCC1)\c1ccc(N2CCCC2)o1	ZINC000408847633	385339328	/nfs/dbraw/zinc/33/93/28/385339328.db2.gz	NWITVOVCAAMYCI-VBKFSLOCSA-N	0	3	246.354	3.631	40	30		BHEBHN