smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(C)nnc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160909740 408536944 /nfs/dbraw/zinc/53/69/44/408536944.db2.gz CRSGMYLVZFEOHZ-AWEZNQCLSA-N 1 2 300.410 1.935 10 70 DDIELO CCn1c(C)nnc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000160909740 408536950 /nfs/dbraw/zinc/53/69/50/408536950.db2.gz CRSGMYLVZFEOHZ-AWEZNQCLSA-N 1 2 300.410 1.935 10 70 DDIELO C[C@H](CNC(=O)CCCc1nc(C2CC2)no1)[NH+]1CCOCC1 ZINC000159645856 408421499 /nfs/dbraw/zinc/42/14/99/408421499.db2.gz QSAZJWZJWKNPSP-GFCCVEGCSA-N 1 2 322.409 1.107 10 70 DDIELO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@@H](C)C1 ZINC000161229284 408576102 /nfs/dbraw/zinc/57/61/02/408576102.db2.gz IBTLBAIARPODAV-LRDDRELGSA-N 1 2 313.401 1.987 10 70 DDIELO CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@@H](C)C1 ZINC000161229284 408576109 /nfs/dbraw/zinc/57/61/09/408576109.db2.gz IBTLBAIARPODAV-LRDDRELGSA-N 1 2 313.401 1.987 10 70 DDIELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](O)C(C)C)nc[nH+]1 ZINC000161338735 408590493 /nfs/dbraw/zinc/59/04/93/408590493.db2.gz RYNMVKKEPMALEH-QWHCGFSZSA-N 1 2 321.425 1.010 10 70 DDIELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](O)C(C)C)[nH+]cn1 ZINC000161338735 408590498 /nfs/dbraw/zinc/59/04/98/408590498.db2.gz RYNMVKKEPMALEH-QWHCGFSZSA-N 1 2 321.425 1.010 10 70 DDIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@H](O)C(C)C)CC1 ZINC000160215430 290768129 /nfs/dbraw/zinc/76/81/29/290768129.db2.gz DPIXJULTCZCSMX-INIZCTEOSA-N 1 2 322.453 1.088 10 70 DDIELO CCCCCNC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161220180 408574298 /nfs/dbraw/zinc/57/42/98/408574298.db2.gz KJSZKYSIDFWAJN-UHFFFAOYSA-N 1 2 315.439 1.685 10 70 DDIELO C[C@@H](CNC(=O)CCCc1nc(C2CC2)no1)[NH+]1CCOCC1 ZINC000159645719 524649042 /nfs/dbraw/zinc/64/90/42/524649042.db2.gz QSAZJWZJWKNPSP-LBPRGKRZSA-N 1 2 322.409 1.107 10 70 DDIELO COc1cccc(Cl)c1CC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000160712640 484067935 /nfs/dbraw/zinc/06/79/35/484067935.db2.gz ZNZSONJZWAWVJB-DZGCQCFKSA-N 1 2 324.808 1.433 10 70 DDIELO COc1cccc(Cl)c1CC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000160712640 484067939 /nfs/dbraw/zinc/06/79/39/484067939.db2.gz ZNZSONJZWAWVJB-DZGCQCFKSA-N 1 2 324.808 1.433 10 70 DDIELO CC(=O)N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159726579 186138039 /nfs/dbraw/zinc/13/80/39/186138039.db2.gz BSSKIMUAEWIBFY-OAHLLOKOSA-N 1 2 321.808 1.997 10 70 DDIELO NC(=O)[C@@H]1C[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000159786671 197364134 /nfs/dbraw/zinc/36/41/34/197364134.db2.gz KGFDHNGJORKVDN-OCCSQVGLSA-N 1 2 323.780 1.019 10 70 DDIELO NC(=O)[C@@H]1C[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000159786671 197364135 /nfs/dbraw/zinc/36/41/35/197364135.db2.gz KGFDHNGJORKVDN-OCCSQVGLSA-N 1 2 323.780 1.019 10 70 DDIELO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161350581 408592680 /nfs/dbraw/zinc/59/26/80/408592680.db2.gz PCSYCAFVRXZXME-ZDUSSCGKSA-N 1 2 314.455 1.302 10 70 DDIELO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161350581 408592686 /nfs/dbraw/zinc/59/26/86/408592686.db2.gz PCSYCAFVRXZXME-ZDUSSCGKSA-N 1 2 314.455 1.302 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000161334699 408589850 /nfs/dbraw/zinc/58/98/50/408589850.db2.gz VQNNOIHOKNGJDK-JTQLQIEISA-N 1 2 319.331 1.156 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000161334699 408589856 /nfs/dbraw/zinc/58/98/56/408589856.db2.gz VQNNOIHOKNGJDK-JTQLQIEISA-N 1 2 319.331 1.156 10 70 DDIELO CCc1nn(C)c(Cl)c1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000159975688 197377860 /nfs/dbraw/zinc/37/78/60/197377860.db2.gz SPBCIWKMBDIPCW-JTQLQIEISA-N 1 2 314.817 1.086 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000161276096 408581268 /nfs/dbraw/zinc/58/12/68/408581268.db2.gz ZGYPOKDNUSORHQ-GFCCVEGCSA-N 1 2 302.382 1.938 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000161276096 408581272 /nfs/dbraw/zinc/58/12/72/408581272.db2.gz ZGYPOKDNUSORHQ-GFCCVEGCSA-N 1 2 302.382 1.938 10 70 DDIELO CCCOc1cccc(CC(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000160831032 408529911 /nfs/dbraw/zinc/52/99/11/408529911.db2.gz DARUEJDCOZWGAI-HNNXBMFYSA-N 1 2 320.433 1.855 10 70 DDIELO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000160207303 197392698 /nfs/dbraw/zinc/39/26/98/197392698.db2.gz IDXUJJLSLUJGOQ-MRVWCRGKSA-N 1 2 324.371 1.905 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCCO2)nc[nH+]1 ZINC000159792612 197364795 /nfs/dbraw/zinc/36/47/95/197364795.db2.gz DYHPQZKPRKHQSE-OLZOCXBDSA-N 1 2 319.409 1.172 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCCO2)[nH+]cn1 ZINC000159792612 197364796 /nfs/dbraw/zinc/36/47/96/197364796.db2.gz DYHPQZKPRKHQSE-OLZOCXBDSA-N 1 2 319.409 1.172 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000161356081 408591999 /nfs/dbraw/zinc/59/19/99/408591999.db2.gz MJCRPLHSZWQJDD-GFCCVEGCSA-N 1 2 302.382 1.938 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000161356081 408592006 /nfs/dbraw/zinc/59/20/06/408592006.db2.gz MJCRPLHSZWQJDD-GFCCVEGCSA-N 1 2 302.382 1.938 10 70 DDIELO CCC[C@H](C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)[NH+](C)C ZINC000161447572 408603139 /nfs/dbraw/zinc/60/31/39/408603139.db2.gz IWOSEKNWKWEBRI-LLVKDONJSA-N 1 2 322.434 1.673 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000161285170 408582599 /nfs/dbraw/zinc/58/25/99/408582599.db2.gz UKQSRISWHMSOAW-LLVKDONJSA-N 1 2 320.422 1.573 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000161285170 408582604 /nfs/dbraw/zinc/58/26/04/408582604.db2.gz UKQSRISWHMSOAW-LLVKDONJSA-N 1 2 320.422 1.573 10 70 DDIELO NC(=O)[C@@H]1C[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000159786562 197364174 /nfs/dbraw/zinc/36/41/74/197364174.db2.gz KGFDHNGJORKVDN-JSGCOSHPSA-N 1 2 323.780 1.019 10 70 DDIELO NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCO1 ZINC000159786562 197364176 /nfs/dbraw/zinc/36/41/76/197364176.db2.gz KGFDHNGJORKVDN-JSGCOSHPSA-N 1 2 323.780 1.019 10 70 DDIELO Cc1noc([C@@H]2COCCN2Cc2cn3cc(C)ccc3[nH+]2)n1 ZINC000161093816 408559537 /nfs/dbraw/zinc/55/95/37/408559537.db2.gz OEEQTIGAUYYOOZ-AWEZNQCLSA-N 1 2 313.361 1.908 10 70 DDIELO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000159758153 408433224 /nfs/dbraw/zinc/43/32/24/408433224.db2.gz XSSLVGQBTXQMAO-CYBMUJFWSA-N 1 2 314.426 1.376 10 70 DDIELO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000159758153 408433227 /nfs/dbraw/zinc/43/32/27/408433227.db2.gz XSSLVGQBTXQMAO-CYBMUJFWSA-N 1 2 314.426 1.376 10 70 DDIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@@H](O)C(C)C)CC1 ZINC000160215571 408462895 /nfs/dbraw/zinc/46/28/95/408462895.db2.gz DPIXJULTCZCSMX-MRXNPFEDSA-N 1 2 322.453 1.088 10 70 DDIELO CCCCNC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161212480 408573532 /nfs/dbraw/zinc/57/35/32/408573532.db2.gz SFZJMIKNDBEYDG-LBPRGKRZSA-N 1 2 315.439 1.684 10 70 DDIELO Fc1cc(F)c2nccc(NC[C@@H]3CN4CC[NH+]3CC4)c2c1 ZINC000160048067 197381878 /nfs/dbraw/zinc/38/18/78/197381878.db2.gz GCNZEXRGPIRACW-GFCCVEGCSA-N 1 2 304.344 1.925 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000161326867 408590573 /nfs/dbraw/zinc/59/05/73/408590573.db2.gz BIWOVKRLOJSAKA-LBPRGKRZSA-N 1 2 318.381 1.413 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)on2)C1 ZINC000161326867 408590578 /nfs/dbraw/zinc/59/05/78/408590578.db2.gz BIWOVKRLOJSAKA-LBPRGKRZSA-N 1 2 318.381 1.413 10 70 DDIELO COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000159978435 197378046 /nfs/dbraw/zinc/37/80/46/197378046.db2.gz UZNPKAHUVZHMRF-MRXNPFEDSA-N 1 2 314.389 1.904 10 70 DDIELO COC(=O)[C@H](c1cccnc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000159978543 197377584 /nfs/dbraw/zinc/37/75/84/197377584.db2.gz UZNPKAHUVZHMRF-INIZCTEOSA-N 1 2 314.389 1.904 10 70 DDIELO CC(C)CCn1ccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000160719906 408516891 /nfs/dbraw/zinc/51/68/91/408516891.db2.gz BENNDOVZDCCUHH-AWEZNQCLSA-N 1 2 323.441 1.771 10 70 DDIELO CCCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000160893671 276297109 /nfs/dbraw/zinc/29/71/09/276297109.db2.gz JPQICPDHGPKVHD-UKRRQHHQSA-N 1 2 307.442 1.149 10 70 DDIELO CCCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000160893671 276297110 /nfs/dbraw/zinc/29/71/10/276297110.db2.gz JPQICPDHGPKVHD-UKRRQHHQSA-N 1 2 307.442 1.149 10 70 DDIELO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161350736 408593213 /nfs/dbraw/zinc/59/32/13/408593213.db2.gz PCSYCAFVRXZXME-CYBMUJFWSA-N 1 2 314.455 1.302 10 70 DDIELO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161350736 408593218 /nfs/dbraw/zinc/59/32/18/408593218.db2.gz PCSYCAFVRXZXME-CYBMUJFWSA-N 1 2 314.455 1.302 10 70 DDIELO Cc1noc([C@H]2COCCN2Cc2cn3c(cccc3C)[nH+]2)n1 ZINC000161000714 408550129 /nfs/dbraw/zinc/55/01/29/408550129.db2.gz FVWXYJHKUUXODP-CQSZACIVSA-N 1 2 313.361 1.908 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000161323575 408586560 /nfs/dbraw/zinc/58/65/60/408586560.db2.gz KCFYRRTZZXYVDZ-ZDUSSCGKSA-N 1 2 317.393 1.387 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000161323575 408586565 /nfs/dbraw/zinc/58/65/65/408586565.db2.gz KCFYRRTZZXYVDZ-ZDUSSCGKSA-N 1 2 317.393 1.387 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@H](O)C(C)C)nc[nH+]1 ZINC000161339112 408588652 /nfs/dbraw/zinc/58/86/52/408588652.db2.gz RYNMVKKEPMALEH-OLZOCXBDSA-N 1 2 321.425 1.010 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@H](O)C(C)C)[nH+]cn1 ZINC000161339112 408588658 /nfs/dbraw/zinc/58/86/58/408588658.db2.gz RYNMVKKEPMALEH-OLZOCXBDSA-N 1 2 321.425 1.010 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000161285272 408582553 /nfs/dbraw/zinc/58/25/53/408582553.db2.gz UKQSRISWHMSOAW-NSHDSACASA-N 1 2 320.422 1.573 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000161285272 408582559 /nfs/dbraw/zinc/58/25/59/408582559.db2.gz UKQSRISWHMSOAW-NSHDSACASA-N 1 2 320.422 1.573 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000161287843 408580932 /nfs/dbraw/zinc/58/09/32/408580932.db2.gz FWCLNHOKGMMLJZ-LBPRGKRZSA-N 1 2 318.381 1.413 10 70 DDIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)no2)C1 ZINC000161287843 408580938 /nfs/dbraw/zinc/58/09/38/408580938.db2.gz FWCLNHOKGMMLJZ-LBPRGKRZSA-N 1 2 318.381 1.413 10 70 DDIELO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[NH+]1CCOCC1 ZINC000160207559 248313008 /nfs/dbraw/zinc/31/30/08/248313008.db2.gz IDXUJJLSLUJGOQ-BNOWGMLFSA-N 1 2 324.371 1.905 10 70 DDIELO CC(C)CCn1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000160719775 519703476 /nfs/dbraw/zinc/70/34/76/519703476.db2.gz BENNDOVZDCCUHH-CQSZACIVSA-N 1 2 323.441 1.771 10 70 DDIELO CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159975557 197377844 /nfs/dbraw/zinc/37/78/44/197377844.db2.gz SPBCIWKMBDIPCW-SNVBAGLBSA-N 1 2 314.817 1.086 10 70 DDIELO CCN(CC)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160453229 408483808 /nfs/dbraw/zinc/48/38/08/408483808.db2.gz UNODANJMKAUEQL-UHFFFAOYSA-N 1 2 320.393 1.034 10 70 DDIELO CCn1ccnc1CN1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000160715084 484067963 /nfs/dbraw/zinc/06/79/63/484067963.db2.gz TXWYYEOIRMHVEF-UHFFFAOYSA-N 1 2 316.453 1.827 10 70 DDIELO CCn1ccnc1CN1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000160715084 484067968 /nfs/dbraw/zinc/06/79/68/484067968.db2.gz TXWYYEOIRMHVEF-UHFFFAOYSA-N 1 2 316.453 1.827 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H](O)C(C)C)nc[nH+]1 ZINC000161338968 408590288 /nfs/dbraw/zinc/59/02/88/408590288.db2.gz RYNMVKKEPMALEH-CHWSQXEVSA-N 1 2 321.425 1.010 10 70 DDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H](O)C(C)C)[nH+]cn1 ZINC000161338968 408590295 /nfs/dbraw/zinc/59/02/95/408590295.db2.gz RYNMVKKEPMALEH-CHWSQXEVSA-N 1 2 321.425 1.010 10 70 DDIELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@H](O)C(C)C)nc[nH+]1 ZINC000161338860 408590322 /nfs/dbraw/zinc/59/03/22/408590322.db2.gz RYNMVKKEPMALEH-STQMWFEESA-N 1 2 321.425 1.010 10 70 DDIELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@H](O)C(C)C)[nH+]cn1 ZINC000161338860 408590325 /nfs/dbraw/zinc/59/03/25/408590325.db2.gz RYNMVKKEPMALEH-STQMWFEESA-N 1 2 321.425 1.010 10 70 DDIELO CC(C)[C@@H](C)NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161209870 408574697 /nfs/dbraw/zinc/57/46/97/408574697.db2.gz YBELHYPPLQIDGO-GFCCVEGCSA-N 1 2 315.439 1.540 10 70 DDIELO CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161210000 519812534 /nfs/dbraw/zinc/81/25/34/519812534.db2.gz YBELHYPPLQIDGO-LBPRGKRZSA-N 1 2 315.439 1.540 10 70 DDIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000161356928 408591718 /nfs/dbraw/zinc/59/17/18/408591718.db2.gz QWUXMLRPPLVPME-GFCCVEGCSA-N 1 2 304.402 1.245 10 70 DDIELO CN(C)C(=O)C[N@H+](C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159730845 186137924 /nfs/dbraw/zinc/13/79/24/186137924.db2.gz YGCFMRDXOFEEJV-CYBMUJFWSA-N 1 2 309.797 1.853 10 70 DDIELO CN(C)C(=O)C[N@@H+](C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159730845 186137925 /nfs/dbraw/zinc/13/79/25/186137925.db2.gz YGCFMRDXOFEEJV-CYBMUJFWSA-N 1 2 309.797 1.853 10 70 DDIELO CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161213415 408573477 /nfs/dbraw/zinc/57/34/77/408573477.db2.gz ULOVAANWJZCDBI-GFCCVEGCSA-N 1 2 315.439 1.636 10 70 DDIELO CN(C)C(=O)C[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159730709 186137822 /nfs/dbraw/zinc/13/78/22/186137822.db2.gz YGCFMRDXOFEEJV-ZDUSSCGKSA-N 1 2 309.797 1.853 10 70 DDIELO CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159730709 186137824 /nfs/dbraw/zinc/13/78/24/186137824.db2.gz YGCFMRDXOFEEJV-ZDUSSCGKSA-N 1 2 309.797 1.853 10 70 DDIELO CCC(C)(C)NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161220597 408574594 /nfs/dbraw/zinc/57/45/94/408574594.db2.gz IGLLIKRNNDURTI-UHFFFAOYSA-N 1 2 315.439 1.684 10 70 DDIELO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160149991 354237144 /nfs/dbraw/zinc/23/71/44/354237144.db2.gz PSJYAOTUQKZANV-CQSZACIVSA-N 1 2 322.409 1.789 10 70 DDIELO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000161274092 302309544 /nfs/dbraw/zinc/30/95/44/302309544.db2.gz KUTWGMVLACVBHE-MCIONIFRSA-N 1 2 308.447 1.997 10 70 DDIELO 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