smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1CCN(S(=O)(=O)c2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	201165746	NSTXUORBJMZTCP-UHFFFAOYSA-N	423.300	0.040	50	30	HCGC	
O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)OC1C(=O)CCC1=O	2265347468	PASZAIXJUYOUEQ-UHFFFAOYSA-N	403.434	0.599	50	30	HCGC	
CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1	16696690	KDLRVYVGXIQJDK-IOMAQTPTSA-N	424.991	0.390	50	30	HCGC	
CC1(C)O[C@@H]2[C@@H](CI)O[C@@H](n3cc(F)c(N)nc3=O)[C@@H]2O1	39385590	ODAZHQCJQUGKRZ-FDDDBJFASA-N	411.171	0.817	50	30	HCGC	in-vitro
CC(=O)OC[C@H]1O[C@@H](OCCCCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	2265362284	VQNCUDCIONDRHQ-DRRXZNNHSA-N	424.830	0.715	50	30	HCGC	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)Cn1nnc(N2CCCCC2)n1	2149101	RRORWHUEAUKBQY-MDZDMXLPSA-N	414.495	0.399	50	30	HCGC	
CCCC1=C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N(C)C1	102210468	RMQIGGGBJDZABU-RNZVCNBFSA-N	422.975	0.310	50	30	HCGC	
CC(=O)OC[C@H]1O[C@H](OCCCl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	83261430	ZCFSGFSMIWNIIA-OWYFMNJBSA-N	410.803	0.325	50	30	HCGC	
O=P(O)(O)OCC(CBr)(CBr)COP(=O)(O)O	111911944	CSEOIVTVQILBPP-UHFFFAOYSA-N	421.899	0.981	50	30	HCGC	
CCCC1=C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1	255999553	RMQIGGGBJDZABU-DXAWUTACSA-N	422.975	0.310	50	30	HCGC	
CC(=O)OC[C@H]1O[C@@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	34650954	CYAYKKUWALRRPA-RKQHYHRCSA-N	411.201	0.464	50	30	HCGC	
CCCC1=C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1	575232349	RMQIGGGBJDZABU-CMZJZNDPSA-N	422.975	0.310	50	30	HCGC	
O=C(Cn1nnc(N2CCOCC2)n1)NNC(=O)c1ccc(Cl)cc1Cl	1044490	KMSZDHBDBLKLCZ-UHFFFAOYSA-N	400.226	0.278	50	30	HCGC	
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CN3CCN(CCO)CC3)ccc21	201300989	MCXMWVZFHCYQED-UHFFFAOYSA-N	403.288	0.214	50	30	HCGC	
C[C@H](C(=O)NNC(=S)Nc1ccccc1Cl)n1nnc(N2CCOCC2)n1	1044877	LJSWTRONPICUTF-SNVBAGLBSA-N	410.891	0.742	50	30	HCGC	
CCCC1=C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1	575232343	RMQIGGGBJDZABU-BXLQCPHDSA-N	422.975	0.310	50	30	HCGC	
COc1cc(/C=N/NC(=O)[C@@H](C)n2nnc(N3CCOCC3)n2)cc(OC)c1OC	1044906	GKVZXNGTPWCXNQ-ZGXHQARYSA-N	419.442	0.247	50	30	HCGC	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cn1nnc(N2CCCC2)n1	2146150	RGAUYDWLPUGMBH-AATRIKPKSA-N	406.497	0.070	50	30	HCGC	
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1	96328519	KDLRVYVGXIQJDK-HZUSHKNOSA-N	424.991	0.390	50	30	HCGC	
COCCCNC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]	8626661	LSWHPZOBPNUCHH-UHFFFAOYSA-N	402.429	0.766	50	30	HCGC	
CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](Br)[C@@H]1OC(C)=O	78423448	LIZACCKAVBPBPQ-PRULPYPASA-N	405.201	0.001	50	30	HCGC	
COc1cc(/C=N/NC(=O)[C@H](C)n2nnc(N3CCOCC3)n2)cc(OC)c1OC	1044904	GKVZXNGTPWCXNQ-MKFNJMOCSA-N	419.442	0.247	50	30	HCGC	
CC(=O)OC[C@H]1O[C@@H](N(CCCl)CCCl)[C@H](OC(C)=O)[C@@H]1OC(C)=O	223659092	JVTVZQWMZUWTIH-KBUPBQIOSA-N	400.255	0.917	50	30	HCGC	
C[C@@H](C(=O)NNC(=S)Nc1ccccc1Cl)n1nnc(N2CCOCC2)n1	1044876	LJSWTRONPICUTF-JTQLQIEISA-N	410.891	0.742	50	30	HCGC	
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1	95486479	KDLRVYVGXIQJDK-RLGRGBQOSA-N	424.991	0.390	50	30	HCGC