smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=Cc1cncc([N+](=O)[O-])c1	35569837	UJOOPEFUADGBNG-UHFFFAOYSA-N	152.109	0.802	5	30	ACBC	
Nc1c(O)ccc([N+](=O)[O-])c1C(=O)O	575719254	QSLOPKSFOYISMJ-UHFFFAOYSA-N	198.134	0.581	5	30	ACBC	
O=[N+]([O-])c1ccncn1	39052574	OSPOSTLNPSOSSA-UHFFFAOYSA-N	125.087	0.385	5	30	ACBC	
O=C(O)c1c(O)ccc([N+](=O)[O-])c1O	38325262	ALIBUAQOBPFPFJ-UHFFFAOYSA-N	199.118	0.704	5	30	ACBC	
CCOc1nc(=O)[nH]cc1[N+](=O)[O-]	238790887	SMSPPWFGSMPJAW-UHFFFAOYSA-N	185.139	0.077	5	30	ACBC	
O=[N+]([O-])/C=C/c1c[nH]cn1	144194253	VFCANXAVQUKARJ-OWOJBTEDSA-N	139.114	0.657	5	30	ACBC	
CCOC(=O)C[C@H](C)C[N+](=O)[O-]	21994274	JKTDAZYGVHGBEO-LURJTMIESA-N	175.184	0.852	5	30	ACBC	
COC(=O)c1cc([N+](=O)[O-])sn1	201523762	LMTYPWFGSWSHFB-UHFFFAOYSA-N	188.164	0.838	5	30	ACBC	
O=C1CCC([N+](=O)[O-])CC1	84248928	RFHYQGJFKZEPEB-UHFFFAOYSA-N	143.142	0.775	5	30	ACBC	
Nc1ncnc(F)c1[N+](=O)[O-]	39135458	TZFNJVQGFIGXHZ-UHFFFAOYSA-N	158.092	0.106	5	30	ACBC	
O=Cc1c[nH]c([N+](=O)[O-])n1	39060913	MSBCVLHFCWIVTP-UHFFFAOYSA-N	141.086	0.130	5	30	ACBC	
O=C(O)c1cc(O)c([N+](=O)[O-])c(O)c1	40448351	XOZMTLQVNJQYLW-UHFFFAOYSA-N	199.118	0.704	5	30	ACBC	
CC(=O)O[C@H]1C[N+]2(C)CCC1CC2	3171411	OROYXWCEQBVSLR-YVNMAJEFSA-N	184.259	0.788	5	30	ACBC	
CN[C@@H](C[N+](=O)[O-])SC	59300719	RFXJCBMXMNUGPM-SCSAIBSYSA-N	150.203	0.172	5	30	ACBC	
CCOc1ncc([N+](=O)[O-])c(=O)[nH]1	139739670	PNLUNWWNZBAHBX-UHFFFAOYSA-N	185.139	0.077	5	30	ACBC	
CC(=O)c1nocc1[N+](=O)[O-]	5481239	GXNSZKACHZONEJ-UHFFFAOYSA-N	156.097	0.785	5	30	ACBC	
O=CNCc1ccc([N+](=O)[O-])cc1	22002949	NJCZDNIUWWLVLC-UHFFFAOYSA-N	180.163	0.841	5	30	ACBC	
C[N@@+]1([O-])[C@H]2CC[C@@H]1C[C@H](O)C2	250839260	AGFHIYSVIRKUQX-WTPCLMDXSA-N	157.213	0.617	5	30	ACBC	
O=[N+]([O-])/C=C1/CCCN1	3015533	LKMGDZMCCPSUFI-PLNGDYQASA-N	128.131	0.488	5	30	ACBC	
CC(C)(CN1CCOCC1)[N+](=O)[O-]	32599721	BDFPDRCEFZTSBZ-UHFFFAOYSA-N	188.227	0.374	5	30	ACBC	
CC(=O)O[C@@H]1C[N+]2(C)CCC1CC2	3171413	OROYXWCEQBVSLR-HSOILSAZSA-N	184.259	0.788	5	30	ACBC	
C[C@H](CC1OCCO1)[N+](=O)[O-]	96336972	YSVUXQBGRVBEGE-RXMQYKEDSA-N	161.157	0.415	5	30	ACBC	
COc1cc(NN)ccc1[N+](=O)[O-]	39090115	PCZJMSVFHJMNSC-UHFFFAOYSA-N	183.167	0.889	5	30	ACBC	
O=[N+]([O-])c1ccc(CCO)c(CO)c1	95934790	LHYRRHWYOPLOBK-UHFFFAOYSA-N	197.190	0.622	5	30	ACBC	
O=[N+]([O-])c1cncc2nc(O)[nH]c12	1086073	ITNADQHDSICALJ-UHFFFAOYSA-N	180.123	0.572	5	30	ACBC	in-vitro
Nc1ncc(O)cc1[N+](=O)[O-]	299890016	SIWLSZKINIMDKC-UHFFFAOYSA-N	155.113	0.278	5	30	ACBC	
C=Cc1cn(C(=O)O)nc1[N+](=O)[O-]	33753772	ODEIDDPIGPMSJU-UHFFFAOYSA-N	183.123	0.960	5	30	ACBC	
CCOC(=O)Cn1ccnc1[N+](=O)[O-]	13207492	WUXFNUFFOCOHGY-UHFFFAOYSA-N	199.166	0.354	5	30	ACBC	
C[C@@H]([C@H](O)C(F)F)[N+](=O)[O-]	47844259	BJDXAXMDSACXOY-HRFVKAFMSA-N	155.100	0.278	5	30	ACBC	
CC(=O)c1cc([N+](=O)[O-])n[nH]1	82406840	VDHZYLBHCOUBRV-UHFFFAOYSA-N	155.113	0.521	5	30	ACBC	
NNc1nc2c([N+](=O)[O-])cccc2[nH]1	95922859	OXWIJBVYPKCOAJ-UHFFFAOYSA-N	193.166	0.757	5	30	ACBC	
O=[N+]([O-])c1cccc[n+]1[O-]	39223122	QDACQOOLIVCDNP-UHFFFAOYSA-N	140.098	0.228	5	30	ACBC	
CCOC(=O)[C@@H]1[C@@H]([N+](=O)[O-])C1(C)C	39083298	MDYSCNIFVJSGAT-NTSWFWBYSA-N	187.195	0.851	5	30	ACBC	
Nc1ccc([N+](=O)[O-])cc1CCO	36448275	HGXFHBMZNDHQGP-UHFFFAOYSA-N	182.179	0.712	5	30	ACBC	
Cc1cc([N+](=O)[O-])ncc1C(=O)O	306713811	DKRCHTFVVVZVOQ-UHFFFAOYSA-N	182.135	0.996	5	30	ACBC	
O=C1Nc2cccc([N+](=O)[O-])c2C1=O	36404682	TYITZWXVYYSISG-UHFFFAOYSA-N	192.130	0.730	5	30	ACBC	in-vitro
Cc1[nH]nc(O)c1[N+](=O)[O-]	4772130	KUWHDICGEHGNFM-UHFFFAOYSA-N	143.102	0.332	5	30	ACBC	in-vitro
Cc1cc([N+](=O)[O-])cnc1CN	95642107	SDPOWLRRDYIWJI-UHFFFAOYSA-N	167.168	0.757	5	30	ACBC	
C[C@H]1OC[C@@H](C[N+](C)(C)C)O1	1718554	COSSAOQSSXDIQW-JGVFFNPUSA-N	160.237	0.454	5	30	ACBC	
CCOC(=O)[C@H]1[C@@H]([N+](=O)[O-])C1(C)C	39083300	MDYSCNIFVJSGAT-PHDIDXHHSA-N	187.195	0.851	5	30	ACBC	
N=C(N)[C@@H](O)c1cccc([N+](=O)[O-])c1	39135079	DRNXAASAWDHSQZ-ZETCQYMHSA-N	195.178	0.564	5	30	ACBC	
NCCc1ccc([N+](=O)[O-])cn1	35569383	TWNASODNSLSALA-UHFFFAOYSA-N	167.168	0.491	5	30	ACBC	
CC(=O)c1oncc1[N+](=O)[O-]	5726437	BNQOTMXWAXOTBY-UHFFFAOYSA-N	156.097	0.785	5	30	ACBC	
O=C1CNc2cc([N+](=O)[O-])ccc2N1	2265364123	CNIILLRSFWURCG-UHFFFAOYSA-N	193.162	0.959	5	30	ACBC	
Cc1nn(C)c(CO)c1[N+](=O)[O-]	120371	VEYISLMHHSSGQD-UHFFFAOYSA-N	171.156	0.129	5	30	ACBC	
NC(=O)c1ccc([N+](=O)[O-])cc1O	40443140	CBTKDMZMTVPRPP-UHFFFAOYSA-N	182.135	0.399	5	30	ACBC	
C[N+](C)(C)CCCN	95884075	PTTKEPPCFIOMEC-UHFFFAOYSA-N	117.216	0.041	5	30	ACBC	in-vitro
CC(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-]	137867730	ZOLKRALPGCLQMS-SVRRBLITSA-N	186.211	0.566	5	30	ACBC	
Nc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	72119938	QDKMCPXBRNXVCF-UHFFFAOYSA-N	199.122	0.791	5	30	ACBC	
Nc1nc(=S)[nH]c(N)c1[N+](=O)[O-]	35635701	FIKISJBYQXVMSK-UHFFFAOYSA-N	187.184	0.212	5	30	ACBC	
CN[C@H](C[N+](=O)[O-])SC	59300720	RFXJCBMXMNUGPM-BYPYZUCNSA-N	150.203	0.172	5	30	ACBC	
Cn1ncc(Cl)c1[N+](=O)[O-]	39311137	JBOUKVDJCHFJMD-UHFFFAOYSA-N	161.548	0.982	5	30	ACBC	in-vitro
O=[N+]([O-])C[C@H](O)c1cccnc1	47476083	GHTJOWGAKXTDTO-ZETCQYMHSA-N	168.152	0.392	5	30	ACBC	
NNc1ccc([N+](=O)[O-])c(O)c1	138877395	IHJZGAXKBQFNFG-UHFFFAOYSA-N	169.140	0.586	5	30	ACBC	
CC[C@H](CN1CCOCC1)[N+](=O)[O-]	31290820	GQHVWDKJTDUZRP-MRVPVSSYSA-N	188.227	0.374	5	30	ACBC	in-vitro
O=[N+]([O-])C(c1ncc[nH]1)c1ncc[nH]1	103845182	KUANFKAYRBICPL-UHFFFAOYSA-N	193.166	0.499	5	30	ACBC	
COc1cc([N+](=O)[O-])cnc1N	90527298	MUEPJELQLAYHSH-UHFFFAOYSA-N	169.140	0.581	5	30	ACBC	
Cc1nc(CO)n(C)c1[N+](=O)[O-]	5116103	QFCZUXUHKLYQKW-UHFFFAOYSA-N	171.156	0.129	5	30	ACBC	
C=CC(=O)OC[C@H](C)[N+](C)(C)C	33754382	TXJWOPUIAVNZQP-QMMMGPOBSA-N	172.248	0.810	5	30	ACBC	
O=[N+]([O-])[C@H]1CCCOC1	84307881	MZOPMSWJGGRPRP-YFKPBYRVSA-N	131.131	0.442	5	30	ACBC	
C=CC(=O)O[C@H](C)C[N+](C)(C)C	33754381	MDQZKNJHOMOCIW-MRVPVSSYSA-N	172.248	0.810	5	30	ACBC	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](C2CC2)N1	307537867	RMDYBTKFXXHQKF-SVRRBLITSA-N	184.195	0.320	5	30	ACBC	
O=[N+]([O-])c1ccc(C(CO)CO)cc1	2529171	LWDKPEXFAQGVTE-UHFFFAOYSA-N	197.190	0.663	5	30	ACBC	
N[C@@H](CCO)c1cccc([N+](=O)[O-])c1	44232565	KKVSRHNIXKKLSK-VIFPVBQESA-N	196.206	0.977	5	30	ACBC	
C=Cn1nccc1[N+](=O)[O-]	2265385354	NATQPJHCEGQVFH-UHFFFAOYSA-N	139.114	0.892	5	30	ACBC	
COC(=O)N1CCC[C@H]1C[N+](=O)[O-]	34947742	KMBIPWAZSPBRMP-LURJTMIESA-N	188.183	0.494	5	30	ACBC	
O=[N+]([O-])C(Br)[N+](=O)[O-]	95754164	GJPMCGKOSHNWNL-UHFFFAOYSA-N	184.933	0.218	5	30	ACBC	
O=[N+]([O-])C1CCOCC1	72194212	NEJGJDRGDXBKGD-UHFFFAOYSA-N	131.131	0.442	5	30	ACBC	
O=[N+]([O-])C[C@@H](O)c1cccnc1	47476081	GHTJOWGAKXTDTO-SSDOTTSWSA-N	168.152	0.392	5	30	ACBC	
O=[N+]([O-])c1ccc(F)nc1O	307509427	NVSVIFYPSMJCRY-UHFFFAOYSA-N	158.088	0.835	5	30	ACBC	
O=C1NCCn2c1ccc2[N+](=O)[O-]	39114303	YQMREDKMMVRESJ-UHFFFAOYSA-N	181.151	0.140	5	30	ACBC	
Cn1cc([N+](=O)[O-])cc1C=O	39212129	XGKIWLRDLSNCRB-UHFFFAOYSA-N	154.125	0.746	5	30	ACBC	
NCCCNc1ccc([N+](=O)[O-])cn1	19802351	NRSKZCLHBVKNNN-UHFFFAOYSA-N	196.210	0.751	5	30	ACBC	
CCOC(=O)[C@@H]1[C@H]([N+](=O)[O-])C1(C)C	39083294	MDYSCNIFVJSGAT-WDSKDSINSA-N	187.195	0.851	5	30	ACBC	
O=[N+]([O-])c1ccc(C2CNC2)cn1	238595394	CJMHKYRGHRNQMJ-UHFFFAOYSA-N	179.179	0.677	5	30	ACBC	
O=C1NCCc2ncc([N+](=O)[O-])cc21	95764248	SGIORKLHQSWESR-UHFFFAOYSA-N	193.162	0.276	5	30	ACBC	
Nc1ccc([N+](=O)[O-])c(N)c1F	238602936	FBWOLLVZEDVTLH-UHFFFAOYSA-N	171.131	0.898	5	30	ACBC	
C[C@H](CO)Nc1ccc([N+](=O)[O-])cn1	35199156	IFUIXZIUISLXKT-ZCFIWIBFSA-N	197.194	0.783	5	30	ACBC	
CC[N+](C)(CC)CCOCCO	38646450	QZUGQJNQQFZWNJ-UHFFFAOYSA-N	176.280	0.482	5	30	ACBC	
NCc1ccc(C(=O)O)c([N+](=O)[O-])c1	39084274	CAUXOWSYHOCERZ-UHFFFAOYSA-N	196.162	0.752	5	30	ACBC	
CC(C)c1[nH]nc(C(N)=O)c1[N+](=O)[O-]	22160201	XHVOHNXZRCGUEH-UHFFFAOYSA-N	198.182	0.540	5	30	ACBC	in-vitro
C=CC(=O)OC[C@@H](C)[N+](C)(C)C	33754383	TXJWOPUIAVNZQP-MRVPVSSYSA-N	172.248	0.810	5	30	ACBC	
C[C@H]1Cn2cc([N+](=O)[O-])nc2O1	5890744	NUCGDAFGCCIOTC-BYPYZUCNSA-N	169.140	0.572	5	30	ACBC	
CC(F)([N+](=O)[O-])[N+](=O)[O-]	19328445	INUKSLQNFYBSOB-UHFFFAOYSA-N	138.054	0.183	5	30	ACBC	
CC(C)[C@H]1OC[C@@H]([N+](=O)[O-])CO1	263589459	KPDQVDPNOWIHOY-KNVOCYPGSA-N	175.184	0.661	5	30	ACBC	
O=[N+]([O-])c1cccnn1	96102479	BHZYGVOPDOCROF-UHFFFAOYSA-N	125.087	0.385	5	30	ACBC	
O=[N+]([O-])CI	100174012	NGPZXMWROSHCLA-UHFFFAOYSA-N	186.936	0.656	5	30	ACBC	
C=CC(=O)O[C@@H](C)C[N+](C)(C)C	33754380	MDQZKNJHOMOCIW-QMMMGPOBSA-N	172.248	0.810	5	30	ACBC	
CCc1cn(C)c([N+](=O)[O-])n1	5115175	JHUPSALKEOYJJF-UHFFFAOYSA-N	155.157	0.891	5	30	ACBC	
Cc1ncc([N+](=O)[O-])n1[C@@H](C)CO	702594618	QBBJCFDTZBBBRB-YFKPBYRVSA-N	185.183	0.653	5	30	ACBC	in-vitro
O=[N+]([O-])c1ccc2[nH]nc(CO)c2c1	44185059	ZZXYCDHPDSVADQ-UHFFFAOYSA-N	193.162	0.963	5	30	ACBC	
CC(=O)c1nc([N+](=O)[O-])[nH]c1C	39072587	GHUALMJETKJFFF-UHFFFAOYSA-N	169.140	0.829	5	30	ACBC	
Cn1ccc(CO)c1[N+](=O)[O-]	34621764	SIAMKUDFWMIHOE-UHFFFAOYSA-N	156.141	0.426	5	30	ACBC	
O=Cc1c([N+](=O)[O-])coc1O	39063067	WTBCVBAGCDMPCC-UHFFFAOYSA-N	157.081	0.706	5	30	ACBC	
C[C@H]([C@@H](O)C(F)F)[N+](=O)[O-]	47844263	BJDXAXMDSACXOY-PWNYCUMCSA-N	155.100	0.278	5	30	ACBC	
CC1(C)COC(C[N+](=O)[O-])OC1	2539587	AVQLWXDZRAOBJX-UHFFFAOYSA-N	175.184	0.662	5	30	ACBC	
O=[N+]([O-])C1CC1	39340150	SYSLARHICMEYEQ-UHFFFAOYSA-N	87.078	0.426	5	30	ACBC	
Cc1cc(N)c([N+](=O)[O-])c(=O)[nH]1	95751877	NRLNBVJDIGFTLK-UHFFFAOYSA-N	169.140	0.174	5	30	ACBC	
C[N@+]1([O-])[C@H]2CC[C@@H]1C[C@H](O)C2	250839255	AGFHIYSVIRKUQX-OJOKCITNSA-N	157.213	0.617	5	30	ACBC	
O=[N+]([O-])c1ccc(-n2ncnn2)cc1	32182277	NJLAQWFIXLFBKW-UHFFFAOYSA-N	191.150	0.571	5	30	ACBC	
Cn1nnc2ccc([N+](=O)[O-])cc21	1579846	LWEWBHHHZBJJLP-UHFFFAOYSA-N	178.151	0.877	5	30	ACBC	
CCOC(=O)/C(C)=C\[N+](=O)[O-]	307790459	VWNOIOYJZLAKBX-PLNGDYQASA-N	159.141	0.730	5	30	ACBC	
O=[N+]([O-])[C@@H]1CCOC1	84307898	PVFMRQLZRAMTQL-SCSAIBSYSA-N	117.104	0.052	5	30	ACBC	
CC(C)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	142685822	PVZYYMYZWPILOC-UHFFFAOYSA-N	199.166	0.095	5	30	ACBC	
NCCNc1ncccc1[N+](=O)[O-]	4336305	VEEUCCPATNOHPT-UHFFFAOYSA-N	182.183	0.360	5	30	ACBC	
O=[N+]([O-])c1cnc2c(c1)CCN2	79026687	VICYBHIQELUVBO-UHFFFAOYSA-N	165.152	0.958	5	30	ACBC	in-vitro
Cc1nc([N+](=O)[O-])c(C)[nH]1	5116118	UKAXKCXOBZGQAK-UHFFFAOYSA-N	141.130	0.935	5	30	ACBC	
C[C@@H](CC1OCCO1)[N+](=O)[O-]	2526206	YSVUXQBGRVBEGE-YFKPBYRVSA-N	161.157	0.415	5	30	ACBC	
CC(=O)Nc1[nH]nc(C)c1[N+](=O)[O-]	39126422	VAMFAOUBRMINQR-UHFFFAOYSA-N	184.155	0.585	5	30	ACBC	
CCCC[N+](CC)(CCO)CCO	38648062	ROYSCRONLJSIJW-UHFFFAOYSA-N	190.307	0.608	5	30	ACBC	
O=[N+]([O-])c1cc([N+](=O)[O-])on1	39113057	XSZSCSFXMXSGJM-UHFFFAOYSA-N	159.057	0.491	5	30	ACBC	
CC(=O)Nc1nn(C)cc1[N+](=O)[O-]	34491526	IEEQTDOZDRTVQP-UHFFFAOYSA-N	184.155	0.287	5	30	ACBC	
Cn1c([N+](=O)[O-])cnc1Cl	2021296	IYVKWWTVJQDECA-UHFFFAOYSA-N	161.548	0.982	5	30	ACBC	
Cc1nc([N+](=O)[O-])cn1C[C@H](C)O	38613836	JRXLILGOSVVPCW-YFKPBYRVSA-N	185.183	0.481	5	30	ACBC	
O=C(O)Cc1cccc([N+](=O)[O-])c1O	34413936	QLVXBCLXWFNMKW-UHFFFAOYSA-N	197.146	0.928	5	30	ACBC	
O=[N+]([O-])c1ccon1	39369193	AOIHSSHDSKUPRK-UHFFFAOYSA-N	114.060	0.583	5	30	ACBC	
O=[N+]([O-])C(F)(F)F	59481255	GEGIENATMYITAP-UHFFFAOYSA-N	115.010	0.783	5	30	ACBC	
O=C(O)[C@H]1CC=C[C@H]1[N+](=O)[O-]	39066677	ALSQRCOURYTKKT-CRCLSJGQSA-N	157.125	0.292	5	30	ACBC	
C[N+](C)(C)C[C@@H]1COCO1	573	HJPHIJVSRJVAGC-SSDOTTSWSA-N	146.210	0.066	5	30	ACBC	in-man
O=Cc1ncc([N+](=O)[O-])[nH]1	34514350	MDIIOVRYTOGGBO-UHFFFAOYSA-N	141.086	0.130	5	30	ACBC	
C[N+](C)(C)C[C@H]1COCO1	2034860	HJPHIJVSRJVAGC-ZETCQYMHSA-N	146.210	0.066	5	30	ACBC	in-man
N=C(N)[C@H](O)c1cccc([N+](=O)[O-])c1	39135080	DRNXAASAWDHSQZ-SSDOTTSWSA-N	195.178	0.564	5	30	ACBC	
NCc1ccc([N+](=O)[O-])cn1	21985570	YHXMPLXAZQRIAA-UHFFFAOYSA-N	153.141	0.449	5	30	ACBC	
C[C@H]1Cn2c([N+](=O)[O-])cnc2O1	5890709	WXPYBUNRDDNOHK-BYPYZUCNSA-N	169.140	0.572	5	30	ACBC	
O=[N+]([O-])c1cnc2c(c1)OCCN2	95642654	KWQOWBSRZNXHTK-UHFFFAOYSA-N	181.151	0.794	5	30	ACBC	
O=[N+]([O-])c1ccc(C(O)O)cc1	33796458	QJRXGFOYYGKXJN-UHFFFAOYSA-N	169.136	0.578	5	30	ACBC	
CNC(=O)c1cc([N+](=O)[O-])c[nH]1	116802508	UINWEYPXDLMRED-UHFFFAOYSA-N	169.140	0.283	5	30	ACBC	
O=[N+]([O-])[C@H]1CCOC1	84307901	PVFMRQLZRAMTQL-BYPYZUCNSA-N	117.104	0.052	5	30	ACBC	
C[C@@H]([C@@H](O)C(F)F)[N+](=O)[O-]	47844261	BJDXAXMDSACXOY-STHAYSLISA-N	155.100	0.278	5	30	ACBC	
Cc1nc(C=O)n(C)c1[N+](=O)[O-]	34567266	QSHIMTDMPAIZEA-UHFFFAOYSA-N	169.140	0.449	5	30	ACBC	
CNCCOc1cncc([N+](=O)[O-])c1	13819658	LYFPTUVMAREVEZ-UHFFFAOYSA-N	197.194	0.588	5	30	ACBC	
Nc1nc([N+](=O)[O-])ccc1[N+](=O)[O-]	198573689	OKBGKXVHXMWWRP-UHFFFAOYSA-N	184.111	0.480	5	30	ACBC	
O=[N+]([O-])CCCF	1846655	VTLREOOVLIJFTN-UHFFFAOYSA-N	107.084	0.623	5	30	ACBC	
O=[N+]([O-])C=C1CCCN1	2265224240	LKMGDZMCCPSUFI-UHFFFAOYSA-N	128.131	0.488	5	30	ACBC	
O=[N+]([O-])[C@@H]1CCCOC1	84307883	MZOPMSWJGGRPRP-RXMQYKEDSA-N	131.131	0.442	5	30	ACBC	
CCOC(=O)[C@H]1[C@H]([N+](=O)[O-])C1(C)C	39083296	MDYSCNIFVJSGAT-RITPCOANSA-N	187.195	0.851	5	30	ACBC	
Cn1cnc([N+](=O)[O-])c1C=O	39062809	VWTGGHMOJLORHA-UHFFFAOYSA-N	155.113	0.141	5	30	ACBC	in-vitro
COC(=O)[C@H]1C[C@H]([N+](=O)[O-])C1	757122859	LYCGPUYPMSQZKH-URHBZAFASA-N	159.141	0.215	5	30	ACBC	
Nc1nc(-c2ccc([N+](=O)[O-])o2)n[nH]1	12341181	QCSNLRSZAWODFY-UHFFFAOYSA-N	195.138	0.555	5	30	ACBC	
O=[N+]([O-])c1cnn([C@@H]2CCC[C@H]2O)c1	37694261	GMMDMYGCQBKABZ-HTQZYQBOSA-N	197.194	0.877	5	30	ACBC	
Nc1cc([N+](=O)[O-])cc(C(=O)O)c1N	37637712	VYSNGNBMJHEJBV-UHFFFAOYSA-N	197.150	0.457	5	30	ACBC	
Cc1nccn1CC[N+](=O)[O-]	306210224	GJHRBDUPPYRKLB-UHFFFAOYSA-N	155.157	0.468	5	30	ACBC	
COC(=O)N1CCC[C@@H]1C[N+](=O)[O-]	34947740	KMBIPWAZSPBRMP-ZCFIWIBFSA-N	188.183	0.494	5	30	ACBC	
COc1cc(C(=O)O)c([N+](=O)[O-])cn1	234829803	ZATBVTVOGBXWKO-UHFFFAOYSA-N	198.134	0.697	5	30	ACBC	
CC[C@@H](CN1CCOCC1)[N+](=O)[O-]	31290817	GQHVWDKJTDUZRP-QMMMGPOBSA-N	188.227	0.374	5	30	ACBC	in-vitro
O=C1CC(n2cc([N+](=O)[O-])cn2)C1	584880221	LQDSMCUMZVZXBY-UHFFFAOYSA-N	181.151	0.695	5	30	ACBC	
O=C1CCC[C@H]2[C@@H]1[C@@H]2[N+](=O)[O-]	34540177	YELGNZJJCHLKFY-JSKYLQRQSA-N	155.153	0.631	5	30	ACBC	
O=[N+]([O-])c1ccc2c(CO)n[nH]c2c1	42689507	IBUYUAQQNOCNJJ-UHFFFAOYSA-N	193.162	0.963	5	30	ACBC	in-vitro
C=CC(=O)NCC[N+](C)(CC)CC	117395363	JWEFDYZEUOOERJ-UHFFFAOYSA-O	185.291	0.775	5	30	ACBC	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NO)C(=O)C2	36437189	JVJGVVLLVCSDOM-LDWIPMOCSA-N	197.234	0.887	5	30	ACBC	
CCOC(=O)C[C@@H](C)C[N+](=O)[O-]	21994272	JKTDAZYGVHGBEO-ZCFIWIBFSA-N	175.184	0.852	5	30	ACBC	
O=[N+]([O-])c1ncc(CN2CCCC2)[nH]1	5116844	DTPRVEPEYAHRKY-UHFFFAOYSA-N	196.210	0.914	5	30	ACBC	
O=[N+]([O-])c1cnc2n1CCO2	27707006	CYWFJXPMXFMCOF-UHFFFAOYSA-N	155.113	0.184	5	30	ACBC	
O=C(O)Cc1cc(O)cc([N+](=O)[O-])c1	95616523	XANCUXBTVGFTKK-UHFFFAOYSA-N	197.146	0.928	5	30	ACBC	
CC(=O)[C@@H]1C[C@@]1(C)[N+](=O)[O-]	39069290	FONLLZXEJWUXFU-NTSWFWBYSA-N	143.142	0.631	5	30	ACBC	
Cn1cnc(F)c1[N+](=O)[O-]	6072434	OUMIZPNWHCYJHT-UHFFFAOYSA-N	145.093	0.467	5	30	ACBC	
O=[N+]([O-])c1c(O)ncnc1Cl	17300083	MXCCPRWUTGSJRR-UHFFFAOYSA-N	175.531	0.744	5	30	ACBC	
O=[N+]([O-])c1cnc(F)nc1F	141297461	GIBOHPZCGYRPBS-UHFFFAOYSA-N	161.067	0.663	5	30	ACBC	
NC(=O)c1c(F)ccc([N+](=O)[O-])c1N	227728938	DAJJMZZTNABYOO-UHFFFAOYSA-N	199.141	0.415	5	30	ACBC	
C[C@@H]1Cn2cc([N+](=O)[O-])nc2O1	5890379	NUCGDAFGCCIOTC-SCSAIBSYSA-N	169.140	0.572	5	30	ACBC	
CCCc1nc(O)c([N+](=O)[O-])c(=O)[nH]1	104458841	JQTCVMAWZRUMFS-UHFFFAOYSA-N	199.166	0.336	5	30	ACBC	
O=Cc1nnc([N+](=O)[O-])s1	39063437	SMHJQLALFNOCOF-UHFFFAOYSA-N	159.126	0.259	5	30	ACBC	
Cc1nc([N+](=O)[O-])cn1C[C@@H](C)O	38613833	JRXLILGOSVVPCW-RXMQYKEDSA-N	185.183	0.481	5	30	ACBC	
Cc1ncncc1[N+](=O)[O-]	25923823	JTNFCNXZXZMCBY-UHFFFAOYSA-N	139.114	0.693	5	30	ACBC	
O=[N+]([O-])c1nccn1CCF	5117592	FFFKRGOPUSSLNU-UHFFFAOYSA-N	159.120	0.761	5	30	ACBC	
Cc1ncc([N+](=O)[O-])n1[C@H](C)CO	702594616	QBBJCFDTZBBBRB-RXMQYKEDSA-N	185.183	0.653	5	30	ACBC	in-vitro
CCc1cnc([N+](=O)[O-])[nH]1	5424454	ANTIQDYZXQCQJF-UHFFFAOYSA-N	141.130	0.880	5	30	ACBC	
O=C1NCCn2cc([N+](=O)[O-])cc21	39114304	OWGYKLOBIDSAPT-UHFFFAOYSA-N	181.151	0.140	5	30	ACBC	
O=[N+]([O-])c1ncn(C(F)F)n1	725265038	YSBGCZYHAOFRJE-UHFFFAOYSA-N	164.071	0.581	5	30	ACBC	
Nc1cc([N+](=O)[O-])ccc1CCO	148619811	ZBEQATQTOVULDH-UHFFFAOYSA-N	182.179	0.712	5	30	ACBC	
C[C@H]([C@H](O)C(F)F)[N+](=O)[O-]	36458675	BJDXAXMDSACXOY-GBXIJSLDSA-N	155.100	0.278	5	30	ACBC	
C[C@@H]1Cn2c([N+](=O)[O-])cnc2O1	5890355	WXPYBUNRDDNOHK-SCSAIBSYSA-N	169.140	0.572	5	30	ACBC	
CN(C)C(=O)CCC[N+](=O)[O-]	21993942	RQCMOHAQMCNXFB-UHFFFAOYSA-N	160.173	0.132	5	30	ACBC