smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(-c2nc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)no2)cs1	ZINC000160886281	567827736	/nfs/dbraw/zinc/82/77/36/567827736.db2.gz	IAKOJCDIAWKYAE-UHFFFAOYSA-N	1	2	365.462	4.054	20	70		FIIDLO
C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1nc(Cc2ccccc2)no1	ZINC000160863205	567823503	/nfs/dbraw/zinc/82/35/03/567823503.db2.gz	DDXDIKXUXJUOCQ-DLBZAZTESA-N	1	2	373.460	4.258	20	70		FIIDLO
CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C)c1cccc(C(F)(F)F)c1	ZINC000160914102	567833839	/nfs/dbraw/zinc/83/38/39/567833839.db2.gz	WULVEIGJBMDQLH-HIFRSBDPSA-N	1	2	365.399	4.074	20	70		FIIDLO
O=C(NCc1ccccc1-c1ccc(Cl)cc1)[C@H]1CCn2cc[nH+]c2C1	ZINC000161157524	567882880	/nfs/dbraw/zinc/88/28/80/567882880.db2.gz	MBPUGWXOKYLGOY-INIZCTEOSA-N	1	2	365.864	4.082	20	70		FIIDLO
C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccccc1-n1cccn1	ZINC000160863086	567823466	/nfs/dbraw/zinc/82/34/66/567823466.db2.gz	DDXDIKXUXJUOCQ-SJORKVTESA-N	1	2	373.460	4.258	20	70		FIIDLO
Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)cc1C	ZINC000160940503	567837453	/nfs/dbraw/zinc/83/74/53/567837453.db2.gz	BMNZRUWHKKOUJI-WBVHZDCISA-N	1	2	351.454	4.017	20	70		FIIDLO
Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)cc1C	ZINC000160940503	567837454	/nfs/dbraw/zinc/83/74/54/567837454.db2.gz	BMNZRUWHKKOUJI-WBVHZDCISA-N	1	2	351.454	4.017	20	70		FIIDLO
O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CCC(n2cc[nH+]c2)CC1	ZINC000159425384	568299109	/nfs/dbraw/zinc/29/91/09/568299109.db2.gz	WMQKCTCJGWOHOK-UHFFFAOYSA-N	1	2	369.856	4.196	20	70		FIIDLO
O=C(NCc1ccccc1-c1ccc(Cl)cc1)[C@@H]1CCn2cc[nH+]c2C1	ZINC000161157410	567882890	/nfs/dbraw/zinc/88/28/90/567882890.db2.gz	MBPUGWXOKYLGOY-MRXNPFEDSA-N	1	2	365.864	4.082	20	70		FIIDLO
CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)c1cccc(C(F)(F)F)c1	ZINC000160913876	567833611	/nfs/dbraw/zinc/83/36/11/567833611.db2.gz	WULVEIGJBMDQLH-UKRRQHHQSA-N	1	2	365.399	4.074	20	70		FIIDLO
CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1cccc(C(F)(F)F)c1	ZINC000160913955	567833641	/nfs/dbraw/zinc/83/36/41/567833641.db2.gz	WULVEIGJBMDQLH-ZFWWWQNUSA-N	1	2	365.399	4.074	20	70		FIIDLO
O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCO[C@@H](c2cccs2)C1	ZINC000161495506	567945190	/nfs/dbraw/zinc/94/51/90/567945190.db2.gz	WIYJPFAVDAKULQ-GOSISDBHSA-N	1	2	366.442	4.149	20	70		FIIDLO
O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCO[C@H](c2cccs2)C1	ZINC000161495403	567945165	/nfs/dbraw/zinc/94/51/65/567945165.db2.gz	WIYJPFAVDAKULQ-SFHVURJKSA-N	1	2	366.442	4.149	20	70		FIIDLO
C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1nc(Cc2ccccc2)no1	ZINC000160862971	567823441	/nfs/dbraw/zinc/82/34/41/567823441.db2.gz	DDXDIKXUXJUOCQ-IRXDYDNUSA-N	1	2	373.460	4.258	20	70		FIIDLO
CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1cccc(C(F)(F)F)c1	ZINC000160913779	567833592	/nfs/dbraw/zinc/83/35/92/567833592.db2.gz	WULVEIGJBMDQLH-DZGCQCFKSA-N	1	2	365.399	4.074	20	70		FIIDLO
C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1nc(Cc2ccccc2)no1	ZINC000160863332	567823753	/nfs/dbraw/zinc/82/37/53/567823753.db2.gz	DDXDIKXUXJUOCQ-IAGOWNOFSA-N	1	2	373.460	4.258	20	70		FIIDLO
Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)cc1C	ZINC000160940639	567837510	/nfs/dbraw/zinc/83/75/10/567837510.db2.gz	BMNZRUWHKKOUJI-RDJZCZTQSA-N	1	2	351.454	4.017	20	70		FIIDLO
Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)cc1C	ZINC000160940639	567837512	/nfs/dbraw/zinc/83/75/12/567837512.db2.gz	BMNZRUWHKKOUJI-RDJZCZTQSA-N	1	2	351.454	4.017	20	70		FIIDLO