smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1	ZINC000180177231	822632970	/nfs/dbraw/zinc/63/29/70/822632970.db2.gz	XAKFMBDCOUZWIL-HSZRJFAPSA-N	2	2	399.454	4.363	20	5		GIBDLP
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1	ZINC000061003054	823572199	/nfs/dbraw/zinc/57/21/99/823572199.db2.gz	CSLDQWUHOLCIRH-UHFFFAOYSA-N	2	2	386.839	4.417	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185724579	822814686	/nfs/dbraw/zinc/81/46/86/822814686.db2.gz	QFOKUKOEQSSNPU-IAGOWNOFSA-N	2	2	375.513	4.125	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185724579	822814689	/nfs/dbraw/zinc/81/46/89/822814689.db2.gz	QFOKUKOEQSSNPU-IAGOWNOFSA-N	2	2	375.513	4.125	20	5		GIBDLP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1	ZINC000183675094	822509667	/nfs/dbraw/zinc/50/96/67/822509667.db2.gz	IQZRKPMYDJOSBT-CYBMUJFWSA-N	2	2	377.404	4.081	20	5		GIBDLP
CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000181588536	821892309	/nfs/dbraw/zinc/89/23/09/821892309.db2.gz	PJNXUNAJCVYNBX-IAGOWNOFSA-N	2	2	398.507	4.265	20	5		GIBDLP
Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000182092153	822090349	/nfs/dbraw/zinc/09/03/49/822090349.db2.gz	LZVBFYISLCAODQ-MRXNPFEDSA-N	2	2	380.448	4.043	20	5		GIBDLP
Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000182092153	822090356	/nfs/dbraw/zinc/09/03/56/822090356.db2.gz	LZVBFYISLCAODQ-MRXNPFEDSA-N	2	2	380.448	4.043	20	5		GIBDLP
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2	ZINC000192647482	824055692	/nfs/dbraw/zinc/05/56/92/824055692.db2.gz	SDOOKLDVYCRRQR-OAQYLSRUSA-N	2	2	376.460	4.049	20	5		GIBDLP
Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1	ZINC000180177214	822633018	/nfs/dbraw/zinc/63/30/18/822633018.db2.gz	XAKFMBDCOUZWIL-QHCPKHFHSA-N	2	2	399.454	4.363	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185724617	822814799	/nfs/dbraw/zinc/81/47/99/822814799.db2.gz	QFOKUKOEQSSNPU-SJORKVTESA-N	2	2	375.513	4.125	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185724617	822814803	/nfs/dbraw/zinc/81/48/03/822814803.db2.gz	QFOKUKOEQSSNPU-SJORKVTESA-N	2	2	375.513	4.125	20	5		GIBDLP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1	ZINC000122340594	823340913	/nfs/dbraw/zinc/34/09/13/823340913.db2.gz	GVMBHVANFVUFGR-QGZVFWFLSA-N	2	2	382.508	4.289	20	5		GIBDLP
Cc1c([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cccc1[N+](=O)[O-]	ZINC000122341217	823340857	/nfs/dbraw/zinc/34/08/57/823340857.db2.gz	SCBZGMYRMNLABJ-KRWDZBQOSA-N	2	2	382.508	4.289	20	5		GIBDLP
C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1	ZINC000181587369	821891755	/nfs/dbraw/zinc/89/17/55/821891755.db2.gz	NWYODLNOZUDZKQ-HTAPYJJXSA-N	2	2	394.519	4.126	20	5		GIBDLP
CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1	ZINC000163725312	823741960	/nfs/dbraw/zinc/74/19/60/823741960.db2.gz	IOJFREOIYAEBFJ-QFIPXVFZSA-N	2	2	383.492	4.058	20	5		GIBDLP
O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(F)cc1	ZINC000123952408	823554772	/nfs/dbraw/zinc/55/47/72/823554772.db2.gz	YKIAVIARHWEBKA-UHFFFAOYSA-N	2	2	385.439	4.243	20	5		GIBDLP
CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	ZINC000120754914	823057438	/nfs/dbraw/zinc/05/74/38/823057438.db2.gz	TXXAHLFPOHUWKG-INIZCTEOSA-N	2	2	388.537	4.176	20	5		GIBDLP
CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	ZINC000120754914	823057444	/nfs/dbraw/zinc/05/74/44/823057444.db2.gz	TXXAHLFPOHUWKG-INIZCTEOSA-N	2	2	388.537	4.176	20	5		GIBDLP
C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1	ZINC000181587335	821891569	/nfs/dbraw/zinc/89/15/69/821891569.db2.gz	NWYODLNOZUDZKQ-JTSKRJEESA-N	2	2	394.519	4.126	20	5		GIBDLP
Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cccc1[N+](=O)[O-]	ZINC000122341009	823341058	/nfs/dbraw/zinc/34/10/58/823341058.db2.gz	SCBZGMYRMNLABJ-QGZVFWFLSA-N	2	2	382.508	4.289	20	5		GIBDLP
CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000181588498	821892228	/nfs/dbraw/zinc/89/22/28/821892228.db2.gz	PJNXUNAJCVYNBX-SJORKVTESA-N	2	2	398.507	4.265	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185724564	822814563	/nfs/dbraw/zinc/81/45/63/822814563.db2.gz	QFOKUKOEQSSNPU-DLBZAZTESA-N	2	2	375.513	4.125	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185724564	822814568	/nfs/dbraw/zinc/81/45/68/822814568.db2.gz	QFOKUKOEQSSNPU-DLBZAZTESA-N	2	2	375.513	4.125	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185724600	822814782	/nfs/dbraw/zinc/81/47/82/822814782.db2.gz	QFOKUKOEQSSNPU-IRXDYDNUSA-N	2	2	375.513	4.125	20	5		GIBDLP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185724600	822814785	/nfs/dbraw/zinc/81/47/85/822814785.db2.gz	QFOKUKOEQSSNPU-IRXDYDNUSA-N	2	2	375.513	4.125	20	5		GIBDLP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1	ZINC000122340804	823341042	/nfs/dbraw/zinc/34/10/42/823341042.db2.gz	GVMBHVANFVUFGR-KRWDZBQOSA-N	2	2	382.508	4.289	20	5		GIBDLP
C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1	ZINC000181587386	821891677	/nfs/dbraw/zinc/89/16/77/821891677.db2.gz	NWYODLNOZUDZKQ-VGOFRKELSA-N	2	2	394.519	4.126	20	5		GIBDLP
O=[N+]([O-])c1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Oc1ccccc1Cl	ZINC000061003057	823572120	/nfs/dbraw/zinc/57/21/20/823572120.db2.gz	BIFKKYOYHLPRSJ-UHFFFAOYSA-N	2	2	386.839	4.417	20	5		GIBDLP
CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1	ZINC000163725404	823742033	/nfs/dbraw/zinc/74/20/33/823742033.db2.gz	IOJFREOIYAEBFJ-JOCHJYFZSA-N	2	2	383.492	4.058	20	5		GIBDLP
O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)o2)c(Cl)c1	ZINC000171050204	824047731	/nfs/dbraw/zinc/04/77/31/824047731.db2.gz	DIFLMRXYCUYAHY-UHFFFAOYSA-N	2	2	389.883	4.472	20	5		GIBDLP
C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1	ZINC000121196243	823136645	/nfs/dbraw/zinc/13/66/45/823136645.db2.gz	AJQJJBFFTVGDCE-UHFFFAOYSA-N	2	2	375.856	4.224	20	5		GIBDLP
Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000182092133	822090151	/nfs/dbraw/zinc/09/01/51/822090151.db2.gz	LZVBFYISLCAODQ-INIZCTEOSA-N	2	2	380.448	4.043	20	5		GIBDLP
Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000182092133	822090161	/nfs/dbraw/zinc/09/01/61/822090161.db2.gz	LZVBFYISLCAODQ-INIZCTEOSA-N	2	2	380.448	4.043	20	5		GIBDLP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1	ZINC000183675112	822509661	/nfs/dbraw/zinc/50/96/61/822509661.db2.gz	IQZRKPMYDJOSBT-ZDUSSCGKSA-N	2	2	377.404	4.081	20	5		GIBDLP
COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])cc1F	ZINC000184310486	822612385	/nfs/dbraw/zinc/61/23/85/822612385.db2.gz	PASQAJCTCKCHDC-ZDUSSCGKSA-N	2	2	384.411	4.087	20	5		GIBDLP
COc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])cc1F	ZINC000184310464	822612494	/nfs/dbraw/zinc/61/24/94/822612494.db2.gz	PASQAJCTCKCHDC-CYBMUJFWSA-N	2	2	384.411	4.087	20	5		GIBDLP
Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1[N+](=O)[O-]	ZINC000122335907	823340018	/nfs/dbraw/zinc/34/00/18/823340018.db2.gz	IFCPHYWEGDHKHH-KRWDZBQOSA-N	2	2	382.508	4.289	20	5		GIBDLP
CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000181588555	821892421	/nfs/dbraw/zinc/89/24/21/821892421.db2.gz	PJNXUNAJCVYNBX-DLBZAZTESA-N	2	2	398.507	4.265	20	5		GIBDLP
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1	ZINC000061030863	823574408	/nfs/dbraw/zinc/57/44/08/823574408.db2.gz	WTCNKECPBJDBRG-UHFFFAOYSA-N	2	2	375.856	4.226	20	5		GIBDLP
C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1	ZINC000181587349	821891600	/nfs/dbraw/zinc/89/16/00/821891600.db2.gz	NWYODLNOZUDZKQ-VGSWGCGISA-N	2	2	394.519	4.126	20	5		GIBDLP
CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000181588516	821892256	/nfs/dbraw/zinc/89/22/56/821892256.db2.gz	PJNXUNAJCVYNBX-IRXDYDNUSA-N	2	2	398.507	4.265	20	5		GIBDLP
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2	ZINC000192647496	824055787	/nfs/dbraw/zinc/05/57/87/824055787.db2.gz	SDOOKLDVYCRRQR-NRFANRHFSA-N	2	2	376.460	4.049	20	5		GIBDLP
CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1	ZINC000179834697	822562666	/nfs/dbraw/zinc/56/26/66/822562666.db2.gz	MCGMKNVAFNRABK-CLFYSBASSA-N	2	2	380.492	4.242	20	5		GIBDLP
CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1	ZINC000179834697	822562667	/nfs/dbraw/zinc/56/26/67/822562667.db2.gz	MCGMKNVAFNRABK-CLFYSBASSA-N	2	2	380.492	4.242	20	5		GIBDLP
CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	ZINC000120754758	823057575	/nfs/dbraw/zinc/05/75/75/823057575.db2.gz	TXXAHLFPOHUWKG-MRXNPFEDSA-N	2	2	388.537	4.176	20	5		GIBDLP
CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	ZINC000120754758	823057580	/nfs/dbraw/zinc/05/75/80/823057580.db2.gz	TXXAHLFPOHUWKG-MRXNPFEDSA-N	2	2	388.537	4.176	20	5		GIBDLP
CN(c1ccccc1)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-]	ZINC000122550606	823370982	/nfs/dbraw/zinc/37/09/82/823370982.db2.gz	YKUOXKSLKAZOOI-UHFFFAOYSA-N	2	2	391.475	4.396	20	5		GIBDLP
Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1[N+](=O)[O-]	ZINC000122335651	823340139	/nfs/dbraw/zinc/34/01/39/823340139.db2.gz	IFCPHYWEGDHKHH-QGZVFWFLSA-N	2	2	382.508	4.289	20	5		GIBDLP