smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(Cl)ccc1NC(C)=CC(=O)C(F)(F)F	ZINC000005479858	181247975	/nfs/dbraw/zinc/24/79/75/181247975.db2.gz	LSNJOAFBTFZCDA-ALCCZGGFSA-N	0	2	321.682	3.574	10	30		DHEELN
COc1cccc(/C=C/C(=O)c2cc(Cl)ccc2O)c1O	ZINC000073635048	525762358	/nfs/dbraw/zinc/76/23/58/525762358.db2.gz	RDYLQCRXTZJACK-FNORWQNLSA-N	0	2	304.729	3.656	10	30		DHEELN
C=CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1	ZINC000111632349	334350190	/nfs/dbraw/zinc/35/01/90/334350190.db2.gz	DCINQYVDUXYNOF-UHFFFAOYSA-N	0	2	300.185	3.737	10	30		DHEELN
O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc(Br)cc2)c1	ZINC000083328170	185221994	/nfs/dbraw/zinc/22/19/94/185221994.db2.gz	HIGVOCZOUAOLPM-NVNXTCNLSA-N	0	2	321.130	3.814	10	30		DHEELN
Cc1ccc(CSc2nnc(NN=Cc3ccccc3)[nH]2)cc1	ZINC000006275219	181325154	/nfs/dbraw/zinc/32/51/54/181325154.db2.gz	PYADIJRRFXJEIP-WOJGMQOQSA-N	0	2	323.425	3.851	10	30		DHEELN
Cc1ccc(CSc2nnc(N[NH+]=Cc3ccccc3)[n-]2)cc1	ZINC000006275219	181325156	/nfs/dbraw/zinc/32/51/56/181325156.db2.gz	PYADIJRRFXJEIP-WOJGMQOQSA-N	0	2	323.425	3.851	10	30		DHEELN
CCC(=O)c1ccc(S)c(-c2ccccc2OC(C)=O)c1	ZINC000089228484	563524219	/nfs/dbraw/zinc/52/42/19/563524219.db2.gz	UFMKXUXCIGAJGP-UHFFFAOYSA-N	0	2	300.379	3.674	10	30		DHEELN
C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1	ZINC000004747066	181146954	/nfs/dbraw/zinc/14/69/54/181146954.db2.gz	XVGDQPCIRYTQHC-ZETCQYMHSA-N	0	2	317.204	3.697	10	30		DHEELN
CCCS/C(=N\O)C(=O)c1ccc(Br)cc1	ZINC000029408991	182564516	/nfs/dbraw/zinc/56/45/16/182564516.db2.gz	QBHDMUVYUBZBEJ-QBFSEMIESA-N	0	2	302.193	3.563	10	30		DHEELN
O=c1[nH][nH]c(=O)c2c(N=Cc3cccc4ccccc34)cccc12	ZINC000000051044	563211927	/nfs/dbraw/zinc/21/19/27/563211927.db2.gz	KOEZSNLSIZIVCS-RGVLZGJSSA-N	0	2	315.332	3.533	10	30		DHEELN
N#Cc1c(Cl)cccc1NC(=O)c1cc(Cl)ccc1O	ZINC000090562664	185303673	/nfs/dbraw/zinc/30/36/73/185303673.db2.gz	KWGQYWPPGQFDHW-UHFFFAOYSA-N	0	2	307.136	3.823	10	30		DHEELN
CCCCCCCc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1	ZINC000043911247	183389225	/nfs/dbraw/zinc/38/92/25/183389225.db2.gz	TUQUHRCLBNPXKK-JKSUJKDBSA-N	0	2	307.459	3.988	10	30		DHEELN
C[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1	ZINC000004747067	181146723	/nfs/dbraw/zinc/14/67/23/181146723.db2.gz	XVGDQPCIRYTQHC-SSDOTTSWSA-N	0	2	317.204	3.697	10	30		DHEELN
CCCn1c2ccccc2nc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000019721089	182138298	/nfs/dbraw/zinc/13/82/98/182138298.db2.gz	PLDQOJVNQMLTLE-WOJGMQOQSA-N	0	2	324.340	3.811	10	30		DHEELN