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)c1sc(Br)cc1I	ZINC000083351210	201367964	/nfs/dbraw/zinc/36/79/64/201367964.db2.gz	RUCGHVXFPJVDHB-UHFFFAOYSA-N	0	0	346.971	2.902	30	0		EFACRN
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2N)CC1	ZINC000067796647	202935531	/nfs/dbraw/zinc/93/55/31/202935531.db2.gz	PDSBUXYMSNMESP-UHFFFAOYSA-N	0	0	339.823	2.615	30	0		EFACRN
NNC(=S)Nc1ccc(OC(F)(F)F)cc1Br	ZINC000067800264	202936195	/nfs/dbraw/zinc/93/61/95/202936195.db2.gz	WYDHLEKSKCHQFU-UHFFFAOYSA-N	0	0	330.129	2.508	30	0		EFACRN
Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1	ZINC000040571822	472038369	/nfs/dbraw/zinc/03/83/69/472038369.db2.gz	GHEJRDPFXDOBHB-UHFFFAOYSA-N	0	0	345.193	2.971	30	0		EFACRN
Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1	ZINC000019397697	212026026	/nfs/dbraw/zinc/02/60/26/212026026.db2.gz	WFFVEJMWWQODLV-UHFFFAOYSA-N	0	0	345.193	2.971	30	0		EFACRN
Cc1cc(Oc2cncnc2)cc(C(=O)Nc2ccc(F)cn2)n1	ZINC000096927312	1248346182	/nfs/dbraw/zinc/34/61/82/1248346182.db2.gz	RBAHIIPVJVMACF-UHFFFAOYSA-N	0	0	325.303	2.759	30	0		EFACRN
CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccc(Br)cc1	ZINC000091353088	203633407	/nfs/dbraw/zinc/63/34/07/203633407.db2.gz	WHWUXGXKXNAINU-GFCCVEGCSA-N	0	0	330.222	2.877	30	0		EFACRN
NNC(=S)Nc1ccc(Br)cc1OC(F)(F)F	ZINC000067800211	472091940	/nfs/dbraw/zinc/09/19/40/472091940.db2.gz	OEHVTZPYTOAZSB-UHFFFAOYSA-N	0	0	330.129	2.508	30	0		EFACRN
Ic1ccc(N2CCC3(CC2)OCCO3)cc1	ZINC000307018201	474814392	/nfs/dbraw/zinc/81/43/92/474814392.db2.gz	WUUFAZWQOOVVLM-UHFFFAOYSA-N	0	0	345.180	2.635	30	0		EFACRN
COc1cc(C=O)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000004244711	210150924	/nfs/dbraw/zinc/15/09/24/210150924.db2.gz	NDHZKVZXPFJWIA-UHFFFAOYSA-N	0	0	335.381	2.626	30	0		EFACRN
Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1	ZINC000040571831	213352446	/nfs/dbraw/zinc/35/24/46/213352446.db2.gz	BPIHTMMHYSVFRJ-UHFFFAOYSA-N	0	0	345.193	2.971	30	0		EFACRN
CCOC(=O)c1c(SC)sc(SC)c(C(=O)OCC)c1=O	ZINC000015444000	471905854	/nfs/dbraw/zinc/90/58/54/471905854.db2.gz	GLHPGDBPBXGJTA-UHFFFAOYSA-N	0	0	348.467	2.906	30	0		EFACRN
COC(=O)c1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1	ZINC000002470957	471408181	/nfs/dbraw/zinc/40/81/81/471408181.db2.gz	LGQPLHSPLCHIEY-UHFFFAOYSA-N	0	0	327.365	2.917	30	0		EFACRN
Nc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)cc1	ZINC000037408980	213144365	/nfs/dbraw/zinc/14/43/65/213144365.db2.gz	FDAMEIHAKRWFGH-UHFFFAOYSA-N	0	0	345.193	2.971	30	0		EFACRN
COC(=O)c1sc(S(=O)(=O)c2ccc(F)cc2)nc1Cl	ZINC000015444353	471905592	/nfs/dbraw/zinc/90/55/92/471905592.db2.gz	OHRAMJLWIHNSKV-UHFFFAOYSA-N	0	0	335.765	2.555	30	0		EFACRN
COC(=O)c1c(Br)cc(OC)c(N)c1Br	ZINC000040571601	472038486	/nfs/dbraw/zinc/03/84/86/472038486.db2.gz	ANNKSNCZNCRDHR-UHFFFAOYSA-N	0	0	338.983	2.589	30	0		EFACRN
COC(=O)c1cc(I)c(OC(F)F)cc1C	ZINC000382677660	476745994	/nfs/dbraw/zinc/74/59/94/476745994.db2.gz	YYWUUZCRQUHODR-UHFFFAOYSA-N	0	0	342.079	2.988	30	0		EFACRN
Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1	ZINC000040571828	213352083	/nfs/dbraw/zinc/35/20/83/213352083.db2.gz	RDYTYHWKFAPMCF-UHFFFAOYSA-N	0	0	345.193	2.971	30	0		EFACRN
Brc1ccc(-n2cnc(I)c2)nc1	ZINC000168669120	473544268	/nfs/dbraw/zinc/54/42/68/473544268.db2.gz	GGVISESKMORFKO-UHFFFAOYSA-N	0	0	349.957	2.634	30	0		EFACRN
Cc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1	ZINC000095937429	473224900	/nfs/dbraw/zinc/22/49/00/473224900.db2.gz	ZACIGTDVMNBTDK-UHFFFAOYSA-N	0	0	342.464	2.502	30	0		EFACRN
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1	ZINC000029478215	1098927537	/nfs/dbraw/zinc/92/75/37/1098927537.db2.gz	ZRCURVJXQGLLOZ-UHFFFAOYSA-N	0	0	332.352	2.697	30	0		EFACRN