smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1[O-]	ZINC000169339441	136197120	/nfs/dbraw/zinc/19/71/20/136197120.db2.gz	BRYBZRNLWFDPDU-UHFFFAOYSA-N	-1	0	375.812	4.196	1	5		GIBFRM
CC1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2[N+](=O)[O-])CC1	ZINC000169339457	136197219	/nfs/dbraw/zinc/19/72/19/136197219.db2.gz	HRQIFXFABWGDFM-UHFFFAOYSA-N	-1	0	389.839	4.442	1	5		GIBFRM
Cc1c([O-])c2c(oc3cc(=O)c(C)c4c-3c2O[C@H](C)[C@H]4C)c(O)c1[C@H](C)[C@H](C)O	ZINC000040862937	205074144	/nfs/dbraw/zinc/07/41/44/205074144.db2.gz	HESPWWKIRCFDQL-MNUQUWEESA-N	-1	0	398.455	4.295	1	5		GIBFRM
O=c1oc2ccccc2c([O-])c1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000084652659	205397474	/nfs/dbraw/zinc/39/74/74/205397474.db2.gz	OHDPLSDXYWFJFE-UHFFFAOYSA-N	-1	0	381.369	4.274	1	5		GIBFRM
CN(c1ccccc1)c1nc2cc(C(=O)[O-])ccc2c2cnc(NC3CC3)nc21	ZINC000066112985	222137393	/nfs/dbraw/zinc/13/73/93/222137393.db2.gz	GPJMVPLCJTYICR-UHFFFAOYSA-N	-1	0	385.427	4.218	1	5		GIBFRM
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3ccc4ccccc4c3n2)cc1	ZINC000045254673	205093636	/nfs/dbraw/zinc/09/36/36/205093636.db2.gz	YBLFBBGJHIUGBI-UHFFFAOYSA-N	-1	0	377.421	4.157	1	5		GIBFRM
CN(C)c1ncc2c3ccc(C(=O)[O-])cc3nc(Nc3cccc(Cl)c3)c2n1	ZINC000066099273	222137783	/nfs/dbraw/zinc/13/77/83/222137783.db2.gz	SQFSPBSCXLZITB-UHFFFAOYSA-N	-1	0	393.834	4.339	1	5		GIBFRM
O=C([O-])CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3	ZINC000029569853	207365829	/nfs/dbraw/zinc/36/58/29/207365829.db2.gz	VSIOBOPKCYGOGD-UHFFFAOYSA-N	-1	0	383.407	4.147	1	5		GIBFRM
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc21	ZINC000027553465	207326960	/nfs/dbraw/zinc/32/69/60/207326960.db2.gz	CGNGWURGADZDKB-CQSZACIVSA-N	-1	0	393.399	4.255	1	5		GIBFRM
O=C(c1n[n-]c(=S)o1)n1c2[nH]c3ccc(Cl)cc3c2c2ccccc2c1=O	ZINC000098082245	208368245	/nfs/dbraw/zinc/36/82/45/208368245.db2.gz	QBMSTNXJMNVNJK-UHFFFAOYSA-N	-1	0	396.815	4.023	1	5		GIBFRM
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21	ZINC000026297075	207311089	/nfs/dbraw/zinc/31/10/89/207311089.db2.gz	NUXMVQKNCWNWJT-CQSZACIVSA-N	-1	0	393.399	4.255	1	5		GIBFRM
O=C([O-])Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(-c2cccc([N+](=O)[O-])c2)c1	ZINC000014953799	207033945	/nfs/dbraw/zinc/03/39/45/207033945.db2.gz	CIPMQPTWGWCBLF-UHFFFAOYSA-N	-1	0	389.367	4.138	1	5		GIBFRM
CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-]	ZINC000026403281	207313844	/nfs/dbraw/zinc/31/38/44/207313844.db2.gz	QVJVMOOBARCPNP-UHFFFAOYSA-N	-1	0	393.783	4.134	1	5		GIBFRM
CC(C)(Oc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)[O-]	ZINC000026399232	207312727	/nfs/dbraw/zinc/31/27/27/207312727.db2.gz	XIOPROXUSNJVKX-UHFFFAOYSA-N	-1	0	393.783	4.134	1	5		GIBFRM
C[C@@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2[N+](=O)[O-])C1	ZINC000169339451	136197155	/nfs/dbraw/zinc/19/71/55/136197155.db2.gz	MMCMGCRXLHKELO-GFCCVEGCSA-N	-1	0	389.839	4.442	1	5		GIBFRM
C[C@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2[N+](=O)[O-])C1	ZINC000169339453	136197113	/nfs/dbraw/zinc/19/71/13/136197113.db2.gz	MMCMGCRXLHKELO-LBPRGKRZSA-N	-1	0	389.839	4.442	1	5		GIBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21	ZINC000013863189	210096486	/nfs/dbraw/zinc/09/64/86/210096486.db2.gz	NUXMVQKNCWNWJT-AWEZNQCLSA-N	-1	0	393.399	4.255	1	5		GIBFRM
COc1c(C)cc2c([nH]c3c2sc2c3c(=O)c(C(=O)[O-])cn2C2CC2)c1C	ZINC000071318804	211044873	/nfs/dbraw/zinc/04/48/73/211044873.db2.gz	LMSWOQIBAAPWOK-UHFFFAOYSA-N	-1	0	382.441	4.356	1	5		GIBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(F)c1)c1nc(NC3CC3)ncc21	ZINC000066100041	222138044	/nfs/dbraw/zinc/13/80/44/222138044.db2.gz	KVKKJGWFBRGFNN-UHFFFAOYSA-N	-1	0	389.390	4.333	1	5		GIBFRM
CNc1ncc2c3ccc(C(=O)[O-])cc3nc(Nc3cccc(Cl)c3)c2n1	ZINC000066099271	222138171	/nfs/dbraw/zinc/13/81/71/222138171.db2.gz	MQIMOJDILSKQTP-UHFFFAOYSA-N	-1	0	379.807	4.315	1	5		GIBFRM
O=C([O-])C1=CN(c2ccncc2)C(c2ccco2)=C[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000001858588	212259236	/nfs/dbraw/zinc/25/92/36/212259236.db2.gz	UYWYEVMQWWMDHS-INIZCTEOSA-N	-1	0	389.367	4.196	1	5		GIBFRM
O=C([O-])c1cccc2c3oc4ccc(I)cc4c3[nH]c21	ZINC000026182796	221638352	/nfs/dbraw/zinc/63/83/52/221638352.db2.gz	FWRKQNYOLURUPO-UHFFFAOYSA-N	-1	0	377.137	4.370	1	5		GIBFRM
O=c1oc2ccccc2c([O-])c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000084668368	222319987	/nfs/dbraw/zinc/31/99/87/222319987.db2.gz	XZAVSRMRDSNEFT-UHFFFAOYSA-N	-1	0	381.369	4.274	1	5		GIBFRM