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(CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000001699180	371698330	/nfs/dbraw/zinc/69/83/30/371698330.db2.gz	LWWCVLKTBXGWGW-UHFFFAOYSA-N	0	3	262.309	2.654	40	5		CFBBHN
CCC(CC)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000002735093	371748530	/nfs/dbraw/zinc/74/85/30/371748530.db2.gz	FTRVCOYPDRVCGK-UHFFFAOYSA-N	0	3	291.395	2.901	40	5		CFBBHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCC1	ZINC000004832055	170026181	/nfs/dbraw/zinc/02/61/81/170026181.db2.gz	YZFVZXFZUKJSDH-UHFFFAOYSA-N	0	3	291.351	2.764	40	5		CFBBHN
CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000096419602	393826844	/nfs/dbraw/zinc/82/68/44/393826844.db2.gz	OBBOTOKGIOHAGX-ILXRZTDVSA-N	0	3	290.363	2.840	40	5		CFBBHN
CN1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910882	262341803	/nfs/dbraw/zinc/34/18/03/262341803.db2.gz	ZFXGZVSMQOGPJH-VIFPVBQESA-N	0	3	297.742	2.529	40	5		CFBBHN
O=[N+]([O-])c1ccc(SC2=NCCCN2)c(Cl)c1	ZINC000001573987	371681528	/nfs/dbraw/zinc/68/15/28/371681528.db2.gz	ZWEAMBFETLQIDX-UHFFFAOYSA-N	0	3	271.729	2.690	40	5		CFBBHN
CCN(CC)CCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005471027	170102426	/nfs/dbraw/zinc/10/24/26/170102426.db2.gz	YTMVRQXDRPSAKX-UHFFFAOYSA-N	0	3	299.352	2.937	40	5		CFBBHN
Cc1cc(C)cc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1	ZINC000006413339	170199649	/nfs/dbraw/zinc/19/96/49/170199649.db2.gz	KYKYKZUBFCMEKB-UHFFFAOYSA-N	0	3	294.698	2.840	40	5		CFBBHN
O=[N+]([O-])c1ccc(NCCNCc2cccs2)cc1	ZINC000008419618	230370484	/nfs/dbraw/zinc/37/04/84/230370484.db2.gz	VSMBQGKHNGQYMA-UHFFFAOYSA-N	0	3	277.349	2.858	40	5		CFBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccccc2)cc1	ZINC000008436048	230370352	/nfs/dbraw/zinc/37/03/52/230370352.db2.gz	KPGWDZXYBZSBAO-UHFFFAOYSA-N	0	3	271.320	2.797	40	5		CFBBHN
CN1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910855	262341792	/nfs/dbraw/zinc/34/17/92/262341792.db2.gz	ZFXGZVSMQOGPJH-SECBINFHSA-N	0	3	297.742	2.529	40	5		CFBBHN
O=C1OC(c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21	ZINC000059500745	262390399	/nfs/dbraw/zinc/39/03/99/262390399.db2.gz	BVTHXCAZOJIZSR-AWEZNQCLSA-N	0	3	283.239	2.689	40	5		CFBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(F)cc2)cc1	ZINC000008418785	230370467	/nfs/dbraw/zinc/37/04/67/230370467.db2.gz	VBAHBXLSQAPIIL-UHFFFAOYSA-N	0	3	289.310	2.936	40	5		CFBBHN
NC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	ZINC000222546833	283409632	/nfs/dbraw/zinc/40/96/32/283409632.db2.gz	QDIUHSXVYMQZJK-CQSZACIVSA-N	0	3	282.303	2.818	40	5		CFBBHN
CC1CCN(CCC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000001598705	371686644	/nfs/dbraw/zinc/68/66/44/371686644.db2.gz	NLRNOTAEEZLSOQ-UHFFFAOYSA-N	0	3	276.336	2.900	40	5		CFBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccccc2F)cc1	ZINC000008435769	230370476	/nfs/dbraw/zinc/37/04/76/230370476.db2.gz	GGQGKRHDRGKHRC-UHFFFAOYSA-N	0	3	289.310	2.936	40	5		CFBBHN
O=C(CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])o1	ZINC000001615816	371688859	/nfs/dbraw/zinc/68/88/59/371688859.db2.gz	PJHDTMHTTYTZSH-RYUDHWBXSA-N	0	3	292.335	2.883	40	5		CFBBHN
CCC(CC)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000002783733	371752774	/nfs/dbraw/zinc/75/27/74/371752774.db2.gz	VXIVMKUHOKQGGE-UHFFFAOYSA-N	0	3	291.395	2.901	40	5		CFBBHN
CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000096419604	393827180	/nfs/dbraw/zinc/82/71/80/393827180.db2.gz	OBBOTOKGIOHAGX-KKUMJFAQSA-N	0	3	290.363	2.840	40	5		CFBBHN
O=[N+]([O-])c1ccc([C@@H](O)CCN2CCCCC2)cc1	ZINC000001871388	371710627	/nfs/dbraw/zinc/71/06/27/371710627.db2.gz	SWBBBDRCBQQWAO-AWEZNQCLSA-N	0	3	264.325	2.504	40	5		CFBBHN
CN1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000216921373	382785082	/nfs/dbraw/zinc/78/50/82/382785082.db2.gz	ZYFBONWQFFDSJU-UHFFFAOYSA-N	0	3	297.742	2.529	40	5		CFBBHN
O=[N+]([O-])c1ccc([C@H](O)CCN2CCCCC2)cc1	ZINC000006536061	170211124	/nfs/dbraw/zinc/21/11/24/170211124.db2.gz	SWBBBDRCBQQWAO-CQSZACIVSA-N	0	3	264.325	2.504	40	5		CFBBHN
NC1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	ZINC000222546897	295210263	/nfs/dbraw/zinc/21/02/63/295210263.db2.gz	QDIUHSXVYMQZJK-AWEZNQCLSA-N	0	3	282.303	2.818	40	5		CFBBHN
CN(C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12	ZINC000005486757	393460386	/nfs/dbraw/zinc/46/03/86/393460386.db2.gz	GTDOTAYBRNQTSR-UHFFFAOYSA-N	0	3	298.342	2.625	40	5		CFBBHN
O=C1OC(c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21	ZINC000059500746	262390346	/nfs/dbraw/zinc/39/03/46/262390346.db2.gz	BVTHXCAZOJIZSR-CQSZACIVSA-N	0	3	283.239	2.689	40	5		CFBBHN
CC[N@@+](C)(C(=O)[O-])c1cccc([C@H](C)N(C)C)c1	ZINC000252676621	383427537	/nfs/dbraw/zinc/42/75/37/383427537.db2.gz	XPQWZGUNGYAQED-MEDUHNTESA-O	0	3	251.350	2.944	40	5		CFBBHN
Cc1c(NC(=O)CC2CCN(C)CC2)cccc1[N+](=O)[O-]	ZINC000216895481	189706787	/nfs/dbraw/zinc/70/67/87/189706787.db2.gz	LWMQCZJYCZVKLA-UHFFFAOYSA-N	0	3	291.351	2.574	40	5		CFBBHN
CC[N@@+](C)(C(=O)[O-])c1cccc([C@@H](C)N(C)C)c1	ZINC000252676620	281354306	/nfs/dbraw/zinc/35/43/06/281354306.db2.gz	XPQWZGUNGYAQED-BDJLRTHQSA-O	0	3	251.350	2.944	40	5		CFBBHN
N=C(NCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000255187687	383477542	/nfs/dbraw/zinc/47/75/42/383477542.db2.gz	GDCYJTXNETUNME-UHFFFAOYSA-N	0	3	270.292	2.731	40	5		CFBBHN