smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S(=O)(F)CCS(=O)(=O)Cl	97971470	TZADICZQYYUWRD-UHFFFAOYSA-N	210.635	-0.146	70	40	BBIB	in-vitro
O=S(=O)(F)c1nc(O)c2nc[nH]c2n1	104381114	WNVULPJVQSXTGT-UHFFFAOYSA-N	218.169	-0.283	70	40	BBIB	
O=S(=O)(Cl)c1ccc2c(c1)B(O)OC2	1535643628	LRNXREKCFFQIEC-UHFFFAOYSA-N	232.453	-0.168	70	40	BBIB	
COC(=O)C1(CS(=O)(=O)Cl)COC1	384732162	JXASJLNJRONGCJ-UHFFFAOYSA-N	228.653	-0.255	70	40	BBIB	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1	1535543418	AMPNMPWYYCJMCB-CRCLSJGQSA-N	211.214	-0.811	70	40	BBIB	
COCc1nnc2sc(NN)nn12	216760761	FBEGHPQCQONWMP-UHFFFAOYSA-N	200.227	-0.382	70	40	BBIB	
O=C1CCC(=O)N1CCS(=O)(=O)Cl	59681392	RELWRPQYLYNUPL-UHFFFAOYSA-N	225.653	-0.296	70	40	BBIB	in-vitro
O=S(=O)(Cl)OS(=O)(=O)Cl	252515789	NNTJKSMVNWGFTB-UHFFFAOYSA-N	215.035	-0.030	70	40	BBIB	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1	1535543497	AMPNMPWYYCJMCB-RFZPGFLSSA-N	211.214	-0.811	70	40	BBIB	
COC(OC)[SiH2]CCCOC[C@H]1CO1	201209197	DYPVADKXJPHQCY-QMMMGPOBSA-N	220.341	-0.045	70	40	BBIB	
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1	1535543499	AMPNMPWYYCJMCB-UHNVWZDZSA-N	211.214	-0.811	70	40	BBIB	
CNC(=O)C1CCN(S(=O)(=O)Cl)CC1	104755747	ZVFHIEVMQRLYMF-UHFFFAOYSA-N	240.712	-0.072	70	40	BBIB	in-vitro
CCOC(=O)C(=O)CS(=O)(=O)Cl	257197708	GUULGPBSIKGLQX-UHFFFAOYSA-N	214.626	-0.313	70	40	BBIB	
COC(OC)[SiH2]CCCOC[C@@H]1CO1	201209160	DYPVADKXJPHQCY-MRVPVSSYSA-N	220.341	-0.045	70	40	BBIB	
O=S(=O)(F)c1nc2c(O)ncnc2[nH]1	104387142	GIKYBGGVPMPEPD-UHFFFAOYSA-N	218.169	-0.283	70	40	BBIB	
CC1(C)NC(=O)N(CCS(=O)(=O)F)C1=O	100493958	FYKCZPQVZFNDCD-UHFFFAOYSA-N	238.240	-0.384	70	40	BBIB	
Cc1n[nH]c(N)c1CC(=O)N1CCOCC1	217814853	MXVBPNHWSGJJDR-UHFFFAOYSA-N	224.264	-0.298	70	40	BBIB	
COC(=O)c1cc(S(=O)(=O)F)n[nH]1	1535645667	QFNWBQJVERBXRZ-UHFFFAOYSA-N	208.170	-0.146	70	40	BBIB	
NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	101448137	CWARYJSMFYLTFC-UHFFFAOYSA-N	239.249	-0.008	70	40	BBIB	
C[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)Cl	100008199	IKKVXKCTFHLODH-RFZPGFLSSA-N	232.710	-0.012	70	40	BBIB	
C[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)Cl	100008195	IKKVXKCTFHLODH-UHNVWZDZSA-N	232.710	-0.012	70	40	BBIB	
CN1CCN(C(=O)CS(=O)(=O)Cl)CC1	157453656	UKRRCGZUIGVOTH-UHFFFAOYSA-N	240.712	-0.671	70	40	BBIB	
CC(=O)On1nnc2ccccc2c1=O	104203287	BTPDCMDGRPYCQZ-UHFFFAOYSA-N	205.173	-0.233	70	40	BBIB	
CC(=O)OC(CC[SiH3])(OC(C)=O)OC(C)=O	604939332	FKSDEUDPWCRPEE-UHFFFAOYSA-N	248.307	-0.497	70	40	BBIB	
CS(=O)(=O)C1CCN(S(=O)(=O)F)CC1	1776011248	WCFYGSXBJVCEKM-UHFFFAOYSA-N	245.297	-0.290	70	40	BBIB	
C[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)Cl	100008196	IKKVXKCTFHLODH-WHFBIAKZSA-N	232.710	-0.012	70	40	BBIB	
O=C1N=c2ccc(S(=O)(=O)Cl)cc2=N1	104541153	SFZRNBVOMZHQCW-UHFFFAOYSA-N	230.632	-0.013	70	40	BBIB	
Cc1nc(N)nc(N)c1S(=O)(=O)Cl	100634638	BGFSGYKXNLLHKR-UHFFFAOYSA-N	222.657	-0.123	70	40	BBIB	
COC(=O)Cn1cc(S(=O)(=O)Cl)cn1	100650494	DJQKZAQYLQCERZ-UHFFFAOYSA-N	238.652	-0.016	70	40	BBIB	in-vitro
Cn1[nH]c(S(=O)(=O)Cl)c2c(=O)ncnc1-2	117544697	VYDCHPMDIZFISD-UHFFFAOYSA-N	248.651	-0.464	70	40	BBIB	
CN1[SiH](C)N(C)[SiH](C)N(C)[SiH]1C	195772392	HBNWIPMCQKVDDD-UHFFFAOYSA-N	219.513	-0.654	70	40	BBIB	
C[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)Cl	100008201	IKKVXKCTFHLODH-CRCLSJGQSA-N	232.710	-0.012	70	40	BBIB	
O=S1(=O)CCC(S(=O)(=O)F)CC1	238855472	RZGAGTSZMBCVNQ-UHFFFAOYSA-N	216.255	-0.137	70	40	BBIB	
O=S1(=O)CC(S(=O)(=O)Cl)C1	100558685	LVCARDDRNNNFBO-UHFFFAOYSA-N	204.656	-0.648	70	40	BBIB	in-vitro
O=C1CCC(=O)N1CCS(=O)(=O)F	105179985	SVCCTWSMZSRCGT-UHFFFAOYSA-N	209.198	-0.565	70	40	BBIB	
O=C1NN=C2[C@@H]1C[C@H]1C[C@@H]2C[C@@H]2C(=O)NN=C21	217477936	JCXUOPSZOYPQOC-JWXFUTCRSA-N	232.243	-0.380	70	40	BBIB	
CN(C)S(=O)(=O)CCCS(=O)(=O)Cl	97971575	WWLFFNKDRNZGMR-UHFFFAOYSA-N	249.741	-0.164	70	40	BBIB	in-vitro
CCOC(=O)N1CCN(C(=O)CC(=N)N)CC1	217750547	RTXJCYQRERNSES-UHFFFAOYSA-N	242.279	-0.387	70	40	BBIB	
O=S(=O)(Cl)CCN1CCOCC1	100545328	RUUFMPJNYPOJHB-UHFFFAOYSA-N	213.686	-0.113	70	40	BBIB	in-vitro
O=S(=O)(Cl)OCOS(=O)(=O)Cl	100214705	GGRDHZBJMKCESK-UHFFFAOYSA-N	245.061	-0.056	70	40	BBIB	
Cc1n[nH]c2nnc(S(C)(=O)=O)nc12	218260150	IEGJMVWIMGQAGN-UHFFFAOYSA-N	213.222	-0.540	70	40	BBIB