smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2Cl)cc1	2598025	UKGBFXVWMSJQQW-UHFFFAOYSA-N	284.098	4.694	5	30	CJBC	
CCCCN(CCCC)c1ccc([N+](=O)[O-])cc1Cl	33638407	QMRCMQGZXWYYIP-UHFFFAOYSA-N	284.787	4.655	5	30	CJBC	
CC1(C)[C@H]2CC[C@]1(C)C[N@@+](C)(Cc1ccccc1Cl)C2	604934901	QJOVIJCIAVJACY-CVAIRZPRSA-N	292.874	4.743	5	30	CJBC	
CC(C)c1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	104246	ZVJXMHWLBDFPPB-SFHVURJKSA-N	295.338	4.561	5	30	CJBC	
Cc1c(C)c(C)c(COc2ccc([N+](=O)[O-])cc2)c(C)c1C	137562	UHRFSMWDYQIAEK-UHFFFAOYSA-N	299.370	4.716	5	30	CJBC	
O=[N+]([O-])c1ccsc1Oc1ccc(Cl)cc1Cl	149457	YLSXUTKWEXRRGS-UHFFFAOYSA-N	290.127	4.755	5	30	CJBC	
Cc1c2cccc(F)c2nc2c1ccc1ccccc12	3874100	BYAVSYPENIKIBV-UHFFFAOYSA-N	261.299	4.989	5	30	CJBC	
N[C@@H](c1ccc2cc3ccccc3cc2c1)C(F)(F)F	72195728	GYHKGMNJBQKBNZ-HNNXBMFYSA-N	275.273	4.555	5	30	CJBC	
Cc1c2cc(F)ccc2nc2ccc3ccccc3c12	5419427	JKOLYLMWKXHXBI-UHFFFAOYSA-N	261.299	4.989	5	30	CJBC	
Cc1c2cc(F)ccc2nc2c1ccc1ccccc12	5419452	JORZEHDIWUENBL-UHFFFAOYSA-N	261.299	4.989	5	30	CJBC	
CC(C)(C)Oc1cc2[nH]c(C(C)(C)C)cc2cc1[N+](=O)[O-]	71625033	SVERKZLQFAYTSY-UHFFFAOYSA-N	290.363	4.551	5	30	CJBC	
Cc1c(-c2cccc(C(C)C)c2)cccc1[N+](=O)[O-]	222750265	KOZORCPLOVLDEY-UHFFFAOYSA-N	255.317	4.694	5	30	CJBC	
CC(C)(C)c1ccc2sc3ccccc3c(=O)c2c1	34595926	LFCIPFQOPWQEPF-UHFFFAOYSA-N	268.381	4.712	5	30	CJBC	
O=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1	2598154	KWZIXOIDCOTWKE-UHFFFAOYSA-N	284.098	4.694	5	30	CJBC	
Cc1cccc2c(C=O)c3ccc4ccccc4c3nc12	5782772	UAFDEKZGXRWCOX-UHFFFAOYSA-N	271.319	4.662	5	30	CJBC	
O=Cc1cc2ccc3ccccc3c2c2ccccc12	2037802	WIZKHVAHCCDUKT-UHFFFAOYSA-N	256.304	4.959	5	30	CJBC	
OCc1cc2ccccc2c2ccc3ccccc3c12	1996298	IBPJJMOCMKEXHI-UHFFFAOYSA-N	258.320	4.639	5	30	CJBC	
CC[N+](CC)(CC)Cc1cccc(Oc2ccccc2)c1	5955369	PVPXWJHAZADTMR-UHFFFAOYSA-N	284.423	4.855	5	30	CJBC	
CC(=O)c1cc([N+](=O)[O-])c2ccc3cccc4ccc1c2c43	33639561	AXAFHZQFUHIWOR-UHFFFAOYSA-N	289.290	4.695	5	30	CJBC	
Cc1cc2c(-c3ccc(N)cc3)c3ccccc3nc2cc1N	4558763	TXPQFYCGMBXSJK-UHFFFAOYSA-N	299.377	4.528	5	30	CJBC	
CC(C)c1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	104248	ZVJXMHWLBDFPPB-GOSISDBHSA-N	295.338	4.561	5	30	CJBC	
CC(=O)Oc1ccc2ccc3cccc4ccc1c2c34	5166897	XMAPHCGFUPXIEN-UHFFFAOYSA-N	260.292	4.509	5	30	CJBC	in-vitro
O=Nc1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34	31361263	PAJDGJYLNJGDDA-UHFFFAOYSA-N	276.251	4.890	5	30	CJBC	
O=c1c2ccc(F)cc2sc2ccc(C(F)(F)F)cc12	6093998	ZDGGCIXEWFPFAH-UHFFFAOYSA-N	298.260	4.573	5	30	CJBC	
CC1(C)[C@H]2CC[C@]1(C)C[N@+](C)(Cc1ccccc1Cl)C2	604934902	QJOVIJCIAVJACY-QKYXUNIQSA-N	292.874	4.743	5	30	CJBC	
CC(C)(C)c1cc(-c2ccccc2)ccc1[N+](=O)[O-]	33605798	OJGOKBGRPKCDBD-UHFFFAOYSA-N	255.317	4.559	5	30	CJBC	
Cc1ccc2nc3c(ccc4ccccc43)c(C=O)c2c1	5782109	CLAQKFCRXYBNSM-UHFFFAOYSA-N	271.319	4.662	5	30	CJBC	
O=[N+]([O-])c1ccc(/C=C/C=C/C=C/c2ccccc2)cc1	2568349	AYKBAOXEJOHWEE-HOXLXQKJSA-N	277.323	4.878	5	30	CJBC	
O=[N+]([O-])c1ccc(SCc2c(F)cccc2Cl)cc1	69803	SSCDKCWIDAFIIM-UHFFFAOYSA-N	297.738	4.680	5	30	CJBC	
Cc1c2cc(O)ccc2cc2c1ccc1cc(O)ccc12	1853426	OWCXKLSYNKIFFO-UHFFFAOYSA-N	274.319	4.866	5	30	CJBC	
Brc1ccc2nc3c(cc2c1)[nH]c1ccccc13	34630372	FBMLBAKYOKTXAC-UHFFFAOYSA-N	297.155	4.632	5	30	CJBC