smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@H]3CC(C)C)[C@@H](CC(C)C)C[N@@H+]1CC2	ZINC000102781125	555065973	/nfs/dbraw/zinc/06/59/73/555065973.db2.gz	ROCDXPADLYVOGR-OPCCUNADSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000102781125	555065975	/nfs/dbraw/zinc/06/59/75/555065975.db2.gz	ROCDXPADLYVOGR-OPCCUNADSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C[C@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000102781125	555065976	/nfs/dbraw/zinc/06/59/76/555065976.db2.gz	ROCDXPADLYVOGR-OPCCUNADSA-N	2	1	630.874	7.149	50	30		KKEAMP
CC(=[NH+]N)c1ccc(N2CCN(c3ccc(-c4cc(C5=NN=C(c6ccc(N7CCN(c8ccc(C(C)=[NH+]N)cc8)CC7)cc6)C5)n[nH]4)cc3)CC2)cc1	ZINC000150577640	571521738	/nfs/dbraw/zinc/52/17/38/571521738.db2.gz	VVJGRSKKBPRFDJ-PGZMIIDGSA-N	2	1	718.914	5.503	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@@H]3CC(C)C)[C@@H](CC(C)C)C[N@@H+]1CC2	ZINC000217561946	1071292059	/nfs/dbraw/zinc/29/20/59/1071292059.db2.gz	ROCDXPADLYVOGR-BJNRMGGSSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000217561946	1071292064	/nfs/dbraw/zinc/29/20/64/1071292064.db2.gz	ROCDXPADLYVOGR-BJNRMGGSSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C[C@@H]3CC(C)C)[C@@H](CC(C)C)C[NH+]1CC2	ZINC000217561946	1071292075	/nfs/dbraw/zinc/29/20/75/1071292075.db2.gz	ROCDXPADLYVOGR-BJNRMGGSSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[N@@H+]1CC2	ZINC000105260875	571392471	/nfs/dbraw/zinc/39/24/71/571392471.db2.gz	ROCDXPADLYVOGR-HUMYSCSZSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000105260875	571392472	/nfs/dbraw/zinc/39/24/72/571392472.db2.gz	ROCDXPADLYVOGR-HUMYSCSZSA-N	2	1	630.874	7.149	50	30		KKEAMP
C[NH+]=C(Nc1c(C(c2c(C)nn(-c3ccccc3)c2NC(=[NH+]C)c2ccccc2)c2ccc(Cl)cc2)c(C)nn1-c1ccccc1)c1ccccc1	ZINC000150440221	571497888	/nfs/dbraw/zinc/49/78/88/571497888.db2.gz	XZMDKCOSLVIMAE-UHFFFAOYSA-N	2	1	703.294	9.104	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@H]3CC(C)C)[C@H](CC(C)C)C[N@@H+]1CC2	ZINC000111078875	571432012	/nfs/dbraw/zinc/43/20/12/571432012.db2.gz	ROCDXPADLYVOGR-JRULRQNBSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C[C@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000111078875	571432013	/nfs/dbraw/zinc/43/20/13/571432013.db2.gz	ROCDXPADLYVOGR-JRULRQNBSA-N	2	1	630.874	7.149	50	30		KKEAMP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C[C@H]3CC(C)C)[C@H](CC(C)C)C[NH+]1CC2	ZINC000111078875	571432014	/nfs/dbraw/zinc/43/20/14/571432014.db2.gz	ROCDXPADLYVOGR-JRULRQNBSA-N	2	1	630.874	7.149	50	30		KKEAMP