smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN(CC)CCN(CCN(CC)CC)c1cc(OC)c(OC)cc1Br	4214645	HKEQSBHKLCETQW-UHFFFAOYSA-N	430.431	3.956	10	30	IHCC	
C[N+](C)(C)CCO[P@@](=O)(O)Oc1ccc(/N=N/c2cc(CC(=O)O)ccc2O)cc1	22060589	XQACLNDQWKQEOL-UHFFFAOYSA-O	438.397	3.637	10	30	IHCC	in-vitro
COc1ccc(N2CCN(C[C@@H]3C[C@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)CC2)cc1	199987286	TZAGFHFRNZSDBY-YZXAJQSBSA-N	430.596	3.959	10	30	IHCC	
CCCC[C@@H](CC)CNc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O	33608762	PMFXQCJLMXQFFQ-CYBMUJFWSA-N	430.526	3.919	10	30	IHCC	
O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	1048279	BIBUNOMBPLFYGW-UHFFFAOYSA-N	434.317	3.899	10	30	IHCC	
O=C(Nc1ccccc1)C1=NN(c2ccccc2)/C(=C2\C(=O)NN=C2c2ccccc2)S1	8636962	PHPOFHSCWPNFLO-LYBHJNIJSA-N	439.500	3.938	10	30	IHCC	
CC[C@H](COC)N1C(=O)c2cccc(/N=N/c3c(O)n(C)c4ccccc4c3=O)c2C1=O	39140156	XEYMQNFNZZRBIB-YSMKLKLISA-N	434.452	3.681	10	30	IHCC	
CCCC[C@H](CC)CNc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O	33608764	PMFXQCJLMXQFFQ-ZDUSSCGKSA-N	430.526	3.919	10	30	IHCC	
COc1cccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1	52969072	LYAUICDWKQJAGX-VWLOTQADSA-N	437.584	3.579	10	30	IHCC	
CN(C)c1ccc2c(c1)OC1=C[C@@H](N(C)C)C=CC1=C2c1cc(C(=O)O)ccc1C(=O)O	575440638	ZZBZMOGSCXZOBW-HNNXBMFYSA-N	432.476	3.727	10	30	IHCC	
COc1ccc(N2CCN(C[C@H]3C[C@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)CC2)cc1	199987320	TZAGFHFRNZSDBY-VFHOHQAYSA-N	430.596	3.959	10	30	IHCC	
CC(C)(C)OC(=O)Nc1cc(C(=O)C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1	536553487	SQSOTPQWQJHINT-HNNXBMFYSA-N	433.505	3.828	10	30	IHCC	
CC(=O)N1CCC(C2=NNC(=O)[C@H]2/N=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	100238931	ANYDVTCAGFFGTI-GJEZWMCYSA-N	449.355	3.921	10	30	IHCC	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@H]2CCCC[C@@H]2C1=O	2265278835	BEVQWIKXPPOJJL-RYUDHWBXSA-N	440.468	3.997	10	30	IHCC	
O=C1N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=CC=Cc1ccccc1	2265276323	TXTLMKTUZMONAA-UHFFFAOYSA-N	433.533	3.760	10	30	IHCC	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@H]2CCCC[C@H]2C1=O	2265278836	BEVQWIKXPPOJJL-TXEJJXNPSA-N	440.468	3.997	10	30	IHCC	
CCOC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C2\C(=O)NN=C2c2ccccc2)S1	33384241	SYSGVBLEOXYQNU-XDJHFCHBSA-N	426.885	3.516	10	30	IHCC	
Cc1ccc(C(=O)NC2(NCCc3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1	20223543	KFMWBZUVNMMCOP-UHFFFAOYSA-N	432.907	3.986	10	30	IHCC	
O=C1NC(c2ccc(Br)cc2)=C2C(=O)NC(c3ccc(Br)cc3)=C12	100007477	QVBDLTMRSNXZSO-UHFFFAOYSA-N	446.098	3.594	10	30	IHCC	
Nc1c(Oc2ccc(CN3CCCC3=O)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O	31333056	NCHYZOPWMDHYNR-UHFFFAOYSA-N	428.444	3.665	10	30	IHCC	
CN(C)c1ccc2c(c1)OC1=C[C@H](N(C)C)C=CC1=C2c1cc(C(=O)O)ccc1C(=O)O	575440639	ZZBZMOGSCXZOBW-OAHLLOKOSA-N	432.476	3.727	10	30	IHCC	
CC(C)(C)OC(=O)Nc1cc(C(=O)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1	536553493	SQSOTPQWQJHINT-OAHLLOKOSA-N	433.505	3.828	10	30	IHCC	
CC[C@@H](COC)N1C(=O)c2cccc(/N=N/c3c(O)n(C)c4ccccc4c3=O)c2C1=O	39140155	XEYMQNFNZZRBIB-UJJCNQHWSA-N	434.452	3.681	10	30	IHCC	
COc1ccc(CCN2C(=O)/C(=C\c3ccccc3C(=O)O)SC2=S)cc1OC	8648720	NDZPMHAAMFXCHA-LDADJPATSA-N	429.519	3.846	10	30	IHCC	
O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(OCc2ccccc2)cc1	12370056	OWFFATZZLMFXGR-UHFFFAOYSA-N	427.467	3.656	10	30	IHCC	
O=C1C(=Cc2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)[C@@H]2CCCC[C@H]2C1=O	2265278837	BEVQWIKXPPOJJL-VXGBXAGGSA-N	440.468	3.997	10	30	IHCC	
COc1cccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1	13803905	LYAUICDWKQJAGX-RUZDIDTESA-N	437.584	3.579	10	30	IHCC	
CC(=O)N1CCC(C2=NNC(=O)[C@@H]2/N=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	100238928	ANYDVTCAGFFGTI-IWAQOYHBSA-N	449.355	3.921	10	30	IHCC