smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(O)(CC=C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157286	518688098	/nfs/dbraw/zinc/68/80/98/518688098.db2.gz	ZZMNPEAQHIWZEX-OAQYLSRUSA-N	0	1	381.516	4.801	10	30		GJEEMN
COc1ccc(-c2cc(-c3cccc4ccccc43)[nH]c(=O)c2C#N)c(OC)c1	ZINC000006303364	570476447	/nfs/dbraw/zinc/47/64/47/570476447.db2.gz	HPDBZYHENRZGNB-UHFFFAOYSA-N	0	1	382.419	4.751	10	30		GJEEMN
C=CCC(O)(CC=C)c1ccc(CN(CCCOC)Cc2ccc(F)cc2)o1	ZINC000036167747	518687781	/nfs/dbraw/zinc/68/77/81/518687781.db2.gz	ISZWCLVOURRSAS-UHFFFAOYSA-N	0	1	387.495	4.797	10	30		GJEEMN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336084	519839474	/nfs/dbraw/zinc/83/94/74/519839474.db2.gz	UDTOQQCKZMAJTD-QGZVFWFLSA-N	0	1	394.452	4.642	10	30		GJEEMN
CCCOc1ccc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1	ZINC000005444814	520323206	/nfs/dbraw/zinc/32/32/06/520323206.db2.gz	QVWLOKVIYXNUAO-UFFVCSGVSA-N	0	1	383.326	4.554	10	30		GJEEMN
C=C(C)C(O)(C(=C)C)c1ccc(CN(CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167671	518586569	/nfs/dbraw/zinc/58/65/69/518586569.db2.gz	UEYHIBXYTAQSAK-UHFFFAOYSA-N	0	1	399.531	4.667	10	30		GJEEMN
C=C(C)C(O)(C(=C)C)c1ccc(CN(CCCOC)Cc2cccs2)o1	ZINC000036154664	570552959	/nfs/dbraw/zinc/55/29/59/570552959.db2.gz	HHHDZOBSFAMLSV-UHFFFAOYSA-N	0	1	375.534	4.720	10	30		GJEEMN
C=CCC(O)(CC=C)c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157282	518688224	/nfs/dbraw/zinc/68/82/24/518688224.db2.gz	ZZMNPEAQHIWZEX-NRFANRHFSA-N	0	1	381.516	4.801	10	30		GJEEMN
C=CCC(O)(CC=C)c1ccc(CN(CCCOC)Cc2cccs2)o1	ZINC000036154658	570552937	/nfs/dbraw/zinc/55/29/37/570552937.db2.gz	FWZGITSFQDLLAO-UHFFFAOYSA-N	0	1	375.534	4.720	10	30		GJEEMN
C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)o1	ZINC000036157297	518587331	/nfs/dbraw/zinc/58/73/31/518587331.db2.gz	NDHSNSRWSDNMBQ-NRFANRHFSA-N	0	1	381.516	4.801	10	30		GJEEMN
Fc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1C1CCCCC1	ZINC000002321958	220522876	/nfs/dbraw/zinc/52/28/76/220522876.db2.gz	DMLFBPNQGNSCHZ-NVMNQCDNSA-N	0	1	383.290	4.772	10	30		GJEEMN
C=CCC(O)(CC=C)c1ccc(CN(CCCOC)Cc2ccc(OC)cc2)o1	ZINC000036167667	518688719	/nfs/dbraw/zinc/68/87/19/518688719.db2.gz	RQLJHLRPXRDSCX-UHFFFAOYSA-N	0	1	399.531	4.667	10	30		GJEEMN
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Br)c1O	ZINC000103306758	520646678	/nfs/dbraw/zinc/64/66/78/520646678.db2.gz	BEUQMERLTOMYPO-NVMNQCDNSA-N	0	1	392.278	4.609	10	30		GJEEMN
CCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=S	ZINC000103665079	523609691	/nfs/dbraw/zinc/60/96/91/523609691.db2.gz	BVPHTUQUZQSBLQ-NXDJFEHLSA-N	0	1	390.555	4.526	10	30		GJEEMN
N#Cc1ccc(OCCc2ccccc2)c(NC(=O)c2cc(Cl)ccc2O)c1	ZINC000090563279	208114303	/nfs/dbraw/zinc/11/43/03/208114303.db2.gz	VCIPHJPROBXPFY-UHFFFAOYSA-N	0	1	392.842	4.791	10	30		GJEEMN
CCC1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=S	ZINC000103665076	523422148	/nfs/dbraw/zinc/42/21/48/523422148.db2.gz	BVPHTUQUZQSBLQ-OZNQOIHVSA-N	0	1	390.555	4.526	10	30		GJEEMN
CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000096336085	519840321	/nfs/dbraw/zinc/84/03/21/519840321.db2.gz	UDTOQQCKZMAJTD-KRWDZBQOSA-N	0	1	394.452	4.642	10	30		GJEEMN
O=[N+]([O-])c1ccc(N=NCc2c(O)ccc3ccccc32)c(C(F)(F)F)c1	ZINC000005949029	570462620	/nfs/dbraw/zinc/46/26/20/570462620.db2.gz	ZWQCQAYSWXLEMC-LSHDLFTRSA-N	0	1	375.306	4.918	10	30		GJEEMN
C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)o1	ZINC000036157300	518587131	/nfs/dbraw/zinc/58/71/31/518587131.db2.gz	NDHSNSRWSDNMBQ-OAQYLSRUSA-N	0	1	381.516	4.801	10	30		GJEEMN
COc1ccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1	ZINC000254381266	570736142	/nfs/dbraw/zinc/73/61/42/570736142.db2.gz	JLQJTWPNVKIFMJ-UHFFFAOYSA-N	0	1	379.272	4.805	10	30		GJEEMN