smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000097203801 347707104 /nfs/dbraw/zinc/70/71/04/347707104.db2.gz YTGQHSYKEPFQBF-JKSUJKDBSA-N 2 2 297.406 2.567 50 30 CFEALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000097203801 347707106 /nfs/dbraw/zinc/70/71/06/347707106.db2.gz YTGQHSYKEPFQBF-JKSUJKDBSA-N 2 2 297.406 2.567 50 30 CFEALP C=C(C)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000048374202 373170961 /nfs/dbraw/zinc/17/09/61/373170961.db2.gz GIVFOYWUCSNSSL-UHFFFAOYSA-N 2 2 274.412 2.607 50 30 CFEALP C=C(Br)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907190 378062666 /nfs/dbraw/zinc/06/26/66/378062666.db2.gz VSHASFGUZIRYGS-TZMCWYRMSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134907190 378062669 /nfs/dbraw/zinc/06/26/69/378062669.db2.gz VSHASFGUZIRYGS-TZMCWYRMSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134907190 378062671 /nfs/dbraw/zinc/06/26/71/378062671.db2.gz VSHASFGUZIRYGS-TZMCWYRMSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134907190 378062674 /nfs/dbraw/zinc/06/26/74/378062674.db2.gz VSHASFGUZIRYGS-TZMCWYRMSA-N 2 2 299.256 2.844 50 30 CFEALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000082087034 374726036 /nfs/dbraw/zinc/72/60/36/374726036.db2.gz QALRMIVEXVWODG-INIZCTEOSA-N 2 2 280.375 2.671 50 30 CFEALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000082087034 374726041 /nfs/dbraw/zinc/72/60/41/374726041.db2.gz QALRMIVEXVWODG-INIZCTEOSA-N 2 2 280.375 2.671 50 30 CFEALP N#Cc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200497 375536365 /nfs/dbraw/zinc/53/63/65/375536365.db2.gz CIQBREGBWRNAJE-OAHLLOKOSA-N 2 2 292.386 2.887 50 30 CFEALP N#Cc1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200497 375536373 /nfs/dbraw/zinc/53/63/73/375536373.db2.gz CIQBREGBWRNAJE-OAHLLOKOSA-N 2 2 292.386 2.887 50 30 CFEALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000222204763 382801521 /nfs/dbraw/zinc/80/15/21/382801521.db2.gz YTGQHSYKEPFQBF-CVEARBPZSA-N 2 2 297.406 2.567 50 30 CFEALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000222204763 382801522 /nfs/dbraw/zinc/80/15/22/382801522.db2.gz YTGQHSYKEPFQBF-CVEARBPZSA-N 2 2 297.406 2.567 50 30 CFEALP CCn1cc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cc1C#N ZINC000077517120 177277561 /nfs/dbraw/zinc/27/75/61/177277561.db2.gz FWNSVLAFYCVQFV-INIZCTEOSA-N 2 2 288.439 2.686 50 30 CFEALP CCn1cc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cc1C#N ZINC000077517120 177277563 /nfs/dbraw/zinc/27/75/63/177277563.db2.gz FWNSVLAFYCVQFV-INIZCTEOSA-N 2 2 288.439 2.686 50 30 CFEALP C=C(Br)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003727 374983646 /nfs/dbraw/zinc/98/36/46/374983646.db2.gz JPYVAVHHYUQNHS-GFCCVEGCSA-N 2 2 298.228 2.583 50 30 CFEALP C=C(Br)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003727 374983651 /nfs/dbraw/zinc/98/36/51/374983651.db2.gz JPYVAVHHYUQNHS-GFCCVEGCSA-N 2 2 298.228 2.583 50 30 CFEALP N#Cc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000216492356 382783783 /nfs/dbraw/zinc/78/37/83/382783783.db2.gz GYMSMSVZVFVMAQ-UHFFFAOYSA-N 2 2 280.375 2.667 50 30 CFEALP C=C(Cl)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000083855800 540186393 /nfs/dbraw/zinc/18/63/93/540186393.db2.gz JPMUZEYMAUPESM-UHFFFAOYSA-N 2 2 293.842 2.773 50 30 CFEALP C=C(Cl)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000083855800 540186394 /nfs/dbraw/zinc/18/63/94/540186394.db2.gz JPMUZEYMAUPESM-UHFFFAOYSA-N 2 2 293.842 2.773 50 30 CFEALP C=CCOc1ccccc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000037976766 372743069 /nfs/dbraw/zinc/74/30/69/372743069.db2.gz YRZGLEWPBXKXLW-UHFFFAOYSA-N 2 2 274.408 2.825 50 30 CFEALP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)c1cccs1 ZINC000057752166 373610183 /nfs/dbraw/zinc/61/01/83/373610183.db2.gz JYGBIGIURCKRKZ-CYBMUJFWSA-N 2 2 288.420 2.587 50 30 CFEALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000097759152 375584582 /nfs/dbraw/zinc/58/45/82/375584582.db2.gz QPYKJTULDLHXMG-LBPRGKRZSA-N 2 2 263.410 2.545 50 30 CFEALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000097759152 375584589 /nfs/dbraw/zinc/58/45/89/375584589.db2.gz QPYKJTULDLHXMG-LBPRGKRZSA-N 2 2 263.410 2.545 50 30 CFEALP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958915 374676410 /nfs/dbraw/zinc/67/64/10/374676410.db2.gz KQUOUOOEDKCRLS-OAHLLOKOSA-N 2 2 296.374 2.540 50 30 CFEALP N#Cc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080958914 374677330 /nfs/dbraw/zinc/67/73/30/374677330.db2.gz KQUOUOOEDKCRLS-HNNXBMFYSA-N 2 2 296.374 2.540 50 30 CFEALP Cc1ccc(NC[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH+]c1 ZINC000222204521 382801560 /nfs/dbraw/zinc/80/15/60/382801560.db2.gz IFLUXMVICZVMDC-CVEARBPZSA-N 2 2 297.406 2.567 50 30 CFEALP Cc1ccc(NC[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH+]c1 ZINC000222204521 382801563 /nfs/dbraw/zinc/80/15/63/382801563.db2.gz IFLUXMVICZVMDC-CVEARBPZSA-N 2 2 297.406 2.567 50 30 CFEALP N#Cc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000065452558 373873265 /nfs/dbraw/zinc/87/32/65/373873265.db2.gz XZQLKABVOMPZMG-KRWDZBQOSA-N 2 2 292.386 2.887 50 30 CFEALP N#Cc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000065452558 373873274 /nfs/dbraw/zinc/87/32/74/373873274.db2.gz XZQLKABVOMPZMG-KRWDZBQOSA-N 2 2 292.386 2.887 50 30 CFEALP C=CC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000252508910 545510733 /nfs/dbraw/zinc/51/07/33/545510733.db2.gz XXFOYSODNXMYRU-INIZCTEOSA-N 2 2 278.440 2.576 50 30 CFEALP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000002498106 618172738 /nfs/dbraw/zinc/17/27/38/618172738.db2.gz IUMOSMMWKSKVRV-UHFFFAOYSA-N 2 2 274.408 2.777 50 30 CFEALP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000002498106 618172740 /nfs/dbraw/zinc/17/27/40/618172740.db2.gz IUMOSMMWKSKVRV-UHFFFAOYSA-N 2 2 274.408 2.777 50 30 CFEALP CC[NH+]1CCC([N@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000095431458 375446578 /nfs/dbraw/zinc/44/65/78/375446578.db2.gz AVRRFPMOLNUJIB-UHFFFAOYSA-N 2 2 274.383 2.593 50 30 CFEALP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000095431458 375446582 /nfs/dbraw/zinc/44/65/82/375446582.db2.gz AVRRFPMOLNUJIB-UHFFFAOYSA-N 2 2 274.383 2.593 50 30 CFEALP CCn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1C#N ZINC000077517112 177277793 /nfs/dbraw/zinc/27/77/93/177277793.db2.gz FWNSVLAFYCVQFV-MRXNPFEDSA-N 2 2 288.439 2.686 50 30 CFEALP CCn1cc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1C#N ZINC000077517112 177277795 /nfs/dbraw/zinc/27/77/95/177277795.db2.gz FWNSVLAFYCVQFV-MRXNPFEDSA-N 2 2 288.439 2.686 50 30 CFEALP C[C@H]1CCCN(C(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000069893301 346902834 /nfs/dbraw/zinc/90/28/34/346902834.db2.gz KZYVDGMCJDCBKR-ZDUSSCGKSA-N 2 2 299.422 2.542 50 30 CFEALP Cc1ccc(NC[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)[nH+]c1 ZINC000097203786 347706764 /nfs/dbraw/zinc/70/67/64/347706764.db2.gz IFLUXMVICZVMDC-JKSUJKDBSA-N 2 2 297.406 2.567 50 30 CFEALP Cc1ccc(NC[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH+]c1 ZINC000097203786 347706766 /nfs/dbraw/zinc/70/67/66/347706766.db2.gz IFLUXMVICZVMDC-JKSUJKDBSA-N 2 2 297.406 2.567 50 30 CFEALP N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000095428219 375443802 /nfs/dbraw/zinc/44/38/02/375443802.db2.gz AFSOWPPIURTCGE-KRWDZBQOSA-N 2 2 297.333 2.746 50 30 CFEALP N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000095428219 375443811 /nfs/dbraw/zinc/44/38/11/375443811.db2.gz AFSOWPPIURTCGE-KRWDZBQOSA-N 2 2 297.333 2.746 50 30 CFEALP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000097759151 375584454 /nfs/dbraw/zinc/58/44/54/375584454.db2.gz QPYKJTULDLHXMG-GFCCVEGCSA-N 2 2 263.410 2.545 50 30 CFEALP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000097759151 375584458 /nfs/dbraw/zinc/58/44/58/375584458.db2.gz QPYKJTULDLHXMG-GFCCVEGCSA-N 2 2 263.410 2.545 50 30 CFEALP C=C(Br)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246978347 383127681 /nfs/dbraw/zinc/12/76/81/383127681.db2.gz VSHASFGUZIRYGS-JSGCOSHPSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246978347 383127684 /nfs/dbraw/zinc/12/76/84/383127684.db2.gz VSHASFGUZIRYGS-JSGCOSHPSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246978347 383127687 /nfs/dbraw/zinc/12/76/87/383127687.db2.gz VSHASFGUZIRYGS-JSGCOSHPSA-N 2 2 299.256 2.844 50 30 CFEALP C=C(Br)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246978347 383127689 /nfs/dbraw/zinc/12/76/89/383127689.db2.gz VSHASFGUZIRYGS-JSGCOSHPSA-N 2 2 299.256 2.844 50 30 CFEALP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)c1cccs1 ZINC000057752161 373610663 /nfs/dbraw/zinc/61/06/63/373610663.db2.gz JYGBIGIURCKRKZ-ZDUSSCGKSA-N 2 2 288.420 2.587 50 30 CFEALP CN(C)c1ccc(C=[NH+]NC2=[NH+]CCCCC2)cc1 ZINC000606354930 351263401 /nfs/dbraw/zinc/26/34/01/351263401.db2.gz PYPGYVUQGHHCMR-UHFFFAOYSA-N 2 2 258.369 2.649 50 30 CFEALP N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200506 375537590 /nfs/dbraw/zinc/53/75/90/375537590.db2.gz GRNAZCYYQQQGPR-QGZVFWFLSA-N 2 2 292.386 2.887 50 30 CFEALP N#Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200506 375537595 /nfs/dbraw/zinc/53/75/95/375537595.db2.gz GRNAZCYYQQQGPR-QGZVFWFLSA-N 2 2 292.386 2.887 50 30 CFEALP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC000071892986 176291351 /nfs/dbraw/zinc/29/13/51/176291351.db2.gz UTHMVUCCAVNZPM-UHFFFAOYSA-N 2 2 271.408 2.864 50 30 CFEALP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000071892986 176291352 /nfs/dbraw/zinc/29/13/52/176291352.db2.gz UTHMVUCCAVNZPM-UHFFFAOYSA-N 2 2 271.408 2.864 50 30 CFEALP Cc1ccc(NC[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)[nH+]c1 ZINC000097203784 347707016 /nfs/dbraw/zinc/70/70/16/347707016.db2.gz IFLUXMVICZVMDC-HOTGVXAUSA-N 2 2 297.406 2.567 50 30 CFEALP Cc1ccc(NC[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH+]c1 ZINC000097203784 347707017 /nfs/dbraw/zinc/70/70/17/347707017.db2.gz IFLUXMVICZVMDC-HOTGVXAUSA-N 2 2 297.406 2.567 50 30 CFEALP Cn1cc[nH+]c1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000091625523 180209445 /nfs/dbraw/zinc/20/94/45/180209445.db2.gz FYUCMMATAFATMG-UHFFFAOYSA-N 2 2 280.375 2.671 50 30 CFEALP C=C(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195260861 382765707 /nfs/dbraw/zinc/76/57/07/382765707.db2.gz NIEBJQOMSCNBGT-CQSZACIVSA-N 2 2 279.453 2.781 50 30 CFEALP C=C(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260861 382765708 /nfs/dbraw/zinc/76/57/08/382765708.db2.gz NIEBJQOMSCNBGT-CQSZACIVSA-N 2 2 279.453 2.781 50 30 CFEALP C=C(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260861 382765709 /nfs/dbraw/zinc/76/57/09/382765709.db2.gz NIEBJQOMSCNBGT-CQSZACIVSA-N 2 2 279.453 2.781 50 30 CFEALP C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260861 382765710 /nfs/dbraw/zinc/76/57/10/382765710.db2.gz NIEBJQOMSCNBGT-CQSZACIVSA-N 2 2 279.453 2.781 50 30 CFEALP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000096477241 526455100 /nfs/dbraw/zinc/45/51/00/526455100.db2.gz XXSNDMXJGQTRTG-GOSISDBHSA-N 2 2 270.420 2.784 50 30 CFEALP N#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000042790616 372956688 /nfs/dbraw/zinc/95/66/88/372956688.db2.gz AJEXYVRTPNVODW-UHFFFAOYSA-N 2 2 292.386 2.712 50 30 CFEALP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000089917919 374969297 /nfs/dbraw/zinc/96/92/97/374969297.db2.gz DVDIYIGLGNQMBH-CQSZACIVSA-N 2 2 266.429 2.573 50 30 CFEALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160965415 378810891 /nfs/dbraw/zinc/81/08/91/378810891.db2.gz CJPVHBCBOYBCRV-QGZVFWFLSA-N 2 2 298.365 2.867 50 30 CFEALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160965415 378810897 /nfs/dbraw/zinc/81/08/97/378810897.db2.gz CJPVHBCBOYBCRV-QGZVFWFLSA-N 2 2 298.365 2.867 50 30 CFEALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160965327 378812085 /nfs/dbraw/zinc/81/20/85/378812085.db2.gz CJPVHBCBOYBCRV-KRWDZBQOSA-N 2 2 298.365 2.867 50 30 CFEALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160965327 378812091 /nfs/dbraw/zinc/81/20/91/378812091.db2.gz CJPVHBCBOYBCRV-KRWDZBQOSA-N 2 2 298.365 2.867 50 30 CFEALP C=CCOc1ccccc1C[N@@H+]1CCCn2c[nH+]cc2C1 ZINC000072149043 393642204 /nfs/dbraw/zinc/64/22/04/393642204.db2.gz LEPZHQLEPJLYIW-UHFFFAOYSA-N 2 2 283.375 2.854 50 30 CFEALP C=CCOc1ccccc1C[N@H+]1CCCn2c[nH+]cc2C1 ZINC000072149043 393642209 /nfs/dbraw/zinc/64/22/09/393642209.db2.gz LEPZHQLEPJLYIW-UHFFFAOYSA-N 2 2 283.375 2.854 50 30 CFEALP Cc1cccc(NC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)[nH+]1 ZINC000096483348 230380972 /nfs/dbraw/zinc/38/09/72/230380972.db2.gz RZACZNRHQNQAPV-OAHLLOKOSA-N 2 2 297.406 2.710 50 30 CFEALP N#CCCCC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069845293 374104328 /nfs/dbraw/zinc/10/43/28/374104328.db2.gz IKVGIARBYGTZPA-UHFFFAOYSA-N 2 2 297.406 2.769 50 30 CFEALP N#CCCCC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069845293 374104334 /nfs/dbraw/zinc/10/43/34/374104334.db2.gz IKVGIARBYGTZPA-UHFFFAOYSA-N 2 2 297.406 2.769 50 30 CFEALP 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C=C(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260838 382765575 /nfs/dbraw/zinc/76/55/75/382765575.db2.gz NIEBJQOMSCNBGT-AWEZNQCLSA-N 2 2 279.453 2.781 50 30 CFEALP C=C(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260838 382765577 /nfs/dbraw/zinc/76/55/77/382765577.db2.gz NIEBJQOMSCNBGT-AWEZNQCLSA-N 2 2 279.453 2.781 50 30 CFEALP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260838 382765580 /nfs/dbraw/zinc/76/55/80/382765580.db2.gz NIEBJQOMSCNBGT-AWEZNQCLSA-N 2 2 279.453 2.781 50 30 CFEALP CC[NH+](CC)CCn1cc[nH+]c1-c1cccc(C#N)c1 ZINC000067879589 374012865 /nfs/dbraw/zinc/01/28/65/374012865.db2.gz JMKRSVSLVFFKCC-UHFFFAOYSA-N 2 2 268.364 2.764 50 30 CFEALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000082087033 374726135 /nfs/dbraw/zinc/72/61/35/374726135.db2.gz QALRMIVEXVWODG-MRXNPFEDSA-N 2 2 280.375 2.671 50 30 CFEALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000082087033 374726138 /nfs/dbraw/zinc/72/61/38/374726138.db2.gz 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