smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nonc1/C(=N/O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000016450283	436092354	/nfs/dbraw/zinc/09/23/54/436092354.db2.gz	RKMILJYGKIBZQV-SQFISAMPSA-N	0	2	333.308	0.518	40	30		ECEBLN
CCNC(=O)C[C@H]1S/C(=N\N=C\c2ccc([N+](=O)[O-])o2)NC1=O	ZINC000016681656	436094258	/nfs/dbraw/zinc/09/42/58/436094258.db2.gz	IZSXPIKHIFJTON-RWNYKPJXSA-N	0	2	339.333	0.636	40	30		ECEBLN
CCNC(=O)CC1S/C(=N\N=C\c2ccc([N+](=O)[O-])o2)NC1=O	ZINC000016681656	436094267	/nfs/dbraw/zinc/09/42/67/436094267.db2.gz	IZSXPIKHIFJTON-RWNYKPJXSA-N	0	2	339.333	0.636	40	30		ECEBLN
CC(=O)C(=Cn1c(=O)cc(O)[nH]c1=S)C(=O)Nc1ccccc1	ZINC000005854986	435994199	/nfs/dbraw/zinc/99/41/99/435994199.db2.gz	UWBXQPFWMMBWRS-DHZHZOJOSA-N	0	2	331.353	0.731	40	30		ECEBLN
CC(=O)C(=Cn1c(O)cc(=O)[nH]c1=S)C(=O)Nc1ccccc1	ZINC000005854986	435994203	/nfs/dbraw/zinc/99/42/03/435994203.db2.gz	UWBXQPFWMMBWRS-DHZHZOJOSA-N	0	2	331.353	0.731	40	30		ECEBLN
COc1ccc(C=NNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1	ZINC000031273580	436227200	/nfs/dbraw/zinc/22/72/00/436227200.db2.gz	AWBHTWKQOSGFQH-PXNMLYILSA-N	0	2	328.332	0.415	40	30		ECEBLN
C#CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000020503942	578130510	/nfs/dbraw/zinc/13/05/10/578130510.db2.gz	CRODZUGTPNTMPC-HRCADAONSA-N	0	2	338.521	0.372	40	30	biogenic,in-vitro	ECEBLN
C=CCN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)C)nn1	ZINC000003838666	210077878	/nfs/dbraw/zinc/07/78/78/210077878.db2.gz	WZSANZCKVOMYFH-OIISXLGYSA-N	0	2	346.479	0.695	40	30	biogenic,in-vitro	ECEBLN
COc1ccc(C=NNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1	ZINC000017002420	436098636	/nfs/dbraw/zinc/09/86/36/436098636.db2.gz	AWBHTWKQOSGFQH-LZYBPNLTSA-N	0	2	328.332	0.415	40	30		ECEBLN
CC(=O)N(C(C)=O)c1nnnn1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000016139014	277956391	/nfs/dbraw/zinc/95/63/91/277956391.db2.gz	DHDGEXAWDBOSEJ-AWNIVKPZSA-N	0	2	333.264	0.069	40	30		ECEBLN
CCn1c2ccccc2c(O)c(/C(C)=N/C(CO)(CO)CO)c1=O	ZINC000101156770	436548272	/nfs/dbraw/zinc/54/82/72/436548272.db2.gz	KOVIUKYBNHUVAT-WOJGMQOQSA-N	0	2	334.372	0.252	40	30		ECEBLN
CCOC(=O)N=C(N)NN=CC(C)=NNC(=N)NC(=O)OCC	ZINC000017376909	436099682	/nfs/dbraw/zinc/09/96/82/436099682.db2.gz	SIQBQUONHIOBAN-AUBIEKMPSA-N	0	2	328.333	0.298	40	30		ECEBLN
CCNC(=O)C[C@@H]1S/C(=N\N=C\c2ccc([N+](=O)[O-])o2)NC1=O	ZINC000016681655	436095316	/nfs/dbraw/zinc/09/53/16/436095316.db2.gz	IZSXPIKHIFJTON-RQTLQMQPSA-N	0	2	339.333	0.636	40	30		ECEBLN
CCNC(=O)CC1S/C(=N\N=C\c2ccc([N+](=O)[O-])o2)NC1=O	ZINC000016681655	436095325	/nfs/dbraw/zinc/09/53/25/436095325.db2.gz	IZSXPIKHIFJTON-RQTLQMQPSA-N	0	2	339.333	0.636	40	30		ECEBLN
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCC[NH+]1CCOCC1	ZINC000020503755	565105470	/nfs/dbraw/zinc/10/54/70/565105470.db2.gz	CJYQQKKJEKNAAS-HRCADAONSA-N	0	2	336.505	0.126	40	30	biogenic,in-vitro	ECEBLN
COC(=O)C(O/C(C)=N/S(=O)(=O)c1ccc(C)cc1)C(=O)OC	ZINC000066345869	215034671	/nfs/dbraw/zinc/03/46/71/215034671.db2.gz	UZECCYADYCFIFN-XNTDXEJSSA-N	0	2	343.357	0.833	40	30		ECEBLN
CCCCOC(=O)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000408719528	438583428	/nfs/dbraw/zinc/58/34/28/438583428.db2.gz	FOYXBNOQMXHUOD-UHFFFAOYSA-N	0	2	332.316	0.777	40	30		ECEBLN